4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-N-(2-diethoxyphosphorylethyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCNC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)OCC

Isomeric SMILES

CCOP(=O)(CCNC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)OCC

InChI

InChI=1S/C20H27N8O4P/c1-3-31-33(30,32-4-2)10-9-23-19(29)13-5-7-14(8-6-13)24-11-15-12-25-18-16(26-15)17(21)27-20(22)28-18/h5-8,12,24H,3-4,9-11H2,1-2H3,(H,23,29)(H4,21,22,25,27,28)