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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methyl-amino]-N-[2-(diethoxyphosphorylmethylsulfinyl)ethyl]benzamide Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methyl-amino]-N-[2-(diethoxyphosphorylmethylsulfinyl)ethyl]benzamide CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]-N-[2-(diethoxyphosphorylmethylsulfinyl)ethyl]benzamide IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]-N-[2-(diethoxyphosphorylmethylsulfinyl)ethyl]benzamide Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-methyl-amino]-N-[2-(diethoxyphosphorylmethylsulfinyl)ethyl]benzamide Formula: C22H30N7O6PS MolecularWeight: 551.555661

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H30N7O6PS/c1-4-34-36(32,35-5-2)14-37(33)11-10-24-20(30)15-6-8-17(9-7-15)29(3)13-16-12-25-19-18(26-16)21(31)28-22(23)27-19/h6-9,12H,4-5,10-11,13-14H2,1-3H3,(H,24,30)(H3,23,25,27,28,31)