5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine (Q27461621)

CHEMBL1928284 (English)

19 October 2016

chemical formula

C₂₄H₃₂N₁₂O₄S

1 reference

CHEMBL1928284 (English)

19 October 2016

canonical SMILES

C1CN(CCC1SCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)CCNCC5=CN=C6C(=N5)C(=O)N=C(N6)N

1 reference

CHEMBL1928284 (English)

19 October 2016

isomeric SMILES

C1CN(CCC1SC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)CCNCC5=CN=C6C(=N5)C(=O)N=C(N6)N

1 reference

CHEMBL1928284 (English)

InChI=1S/C24H32N12O4S/c25-19-15-21(30-10-29-19)36(11-31-15)23-18(38)17(37)14(40-23)9-41-13-1-4-35(5-2-13)6-3-27-7-12-8-28-20-16(32-12)22(39)34-24(26)33-20/h8,10-11,13-14,17-18,23,27,37-38H,1-7,9H2,(H2,25,29,30)(H3,26,28,33,34,39)/t14-,17-,18-,23-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL1928284 (English)

KWIHONXLDHOYOZ-YMYXXHFHSA-N

19 October 2016

InChIKey

1 reference

CHEMBL1928284 (English)

19 October 2016

1 reference

5'-S-[1-(2-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}ethyl)-4-piperidinyl]-5'-thioadenosine (English)

19 October 2016

1 reference

CHEMBL1928284 (English)

matched by identifier from

19 October 2016

135566603

1 reference

InChIKey

KWIHONXLDHOYOZ-YMYXXHFHSA-N

1 reference

CHEMBL1928284 (English)

19 October 2016

0 references

1 reference

3UD5 (English)