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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N8O4P/c1-5-31-33(30,32-6-2)15-9-13(7-8-14(15)19(29)23-3)28(4)11-12-10-24-18-16(25-12)17(21)26-20(22)27-18/h7-10H,5-6,11H2,1-4H3,(H,23,29)(H4,21,22,24,26,27)