4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-N-(diethoxyphosphorylmethyl)benzamide

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-N-(diethoxyphosphorylmethyl)benzamide Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-N-(diethoxyphosphorylmethyl)benzamide CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]-N-(diethoxyphosphorylmethyl)benzamide IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-N-(diethoxyphosphorylmethyl)benzamide Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-N-(diethoxyphosphorylmethyl)benzamide Formula: C20H27N8O4P MolecularWeight: 474.453341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CNC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N)OCC

Isomeric SMILES

CCOP(=O)(CNC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N)OCC

InChI

InChI=1S/C20H27N8O4P/c1-4-31-33(30,32-5-2)12-24-19(29)13-6-8-15(9-7-13)28(3)11-14-10-23-18-16(25-14)17(21)26-20(22)27-18/h6-10H,4-5,11-12H2,1-3H3,(H,24,29)(H4,21,22,23,26,27)