4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methyl-amino]-N-(2-diethoxyphosphorylethyl)benzamide

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methyl-amino]-N-(2-diethoxyphosphorylethyl)benzamide Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methyl-amino]-N-(2-diethoxyphosphorylethyl)benzamide CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]-N-(2-diethoxyphosphorylethyl)benzamide IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]-N-(2-diethoxyphosphorylethyl)benzamide Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-methyl-amino]-N-(2-diethoxyphosphorylethyl)benzamide Formula: C21H28N7O5P MolecularWeight: 489.464681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N7O5P/c1-4-32-34(31,33-5-2)11-10-23-19(29)14-6-8-16(9-7-14)28(3)13-15-12-24-18-17(25-15)20(30)27-21(22)26-18/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,23,29)(H3,22,24,26,27,30)