6-amino-2-(methylamino)-4-(2-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (Q27451444)

4-(2-{[(3s,5s,7s)-Adamantan-1-ylmethyl]amino}ethyl)-6-amino-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (English)

19 October 2016

chemical formula

C₂₃H₃₁N₇O

1 reference

stated in

RCSB protein data bank

PDB ligand ID

0UX

16 February 2021

canonical SMILES

CNC=1NC2=CC3=C(C(=C2N1)CCNCC45CC6CC(C4)CC(C6)C5)N=C(NC3=O)N

1 reference

4-(2-{[(3s,5s,7s)-Adamantan-1-ylmethyl]amino}ethyl)-6-amino-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (English)

InChI=1S/C23H31N7O/c1-25-22-27-17-7-16-18(28-21(24)30-20(16)31)15(19(17)29-22)2-3-26-11-23-8-12-4-13(9-23)6-14(5-12)10-23/h7,12-14,26H,2-6,8-11H2,1H3,(H2,25,27,29)(H3,24,28,30,31)/t12-,13+,14-,23-

19 October 2016

isomeric SMILES

CN=c1[nH]c2cc3c(O)nc(=N)[nH]c3c(CCNC[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c2[nH]1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

1 reference

4-(2-{[(3s,5s,7s)-Adamantan-1-ylmethyl]amino}ethyl)-6-amino-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (English)

HJDZMDZEUQKVPL-CAUGRDAOSA-N

19 October 2016

InChIKey

1 reference

4-(2-{[(3s,5s,7s)-Adamantan-1-ylmethyl]amino}ethyl)-6-amino-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (English)

19 October 2016

1 reference

4-(2-{[(3s,5s,7s)-Adamantan-1-ylmethyl]amino}ethyl)-6-amino-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (English)

19 October 2016

0 references

1 reference

4FPS (English)