N-[N'-[2,2-bis(diethoxyphosphoryl)ethyl]carbamimidoyl]-1H-benzimidazole-2-carboxamide

Systemtic Name: N-[N'-[2,2-bis(diethoxyphosphoryl)ethyl]carbamimidoyl]-1H-benzimidazole-2-carboxamide Openeye Name: N-[N'-[2,2-bis(diethoxyphosphoryl)ethyl]carbamimidoyl]-1H-benzimidazole-2-carboxamide CAS Name: N-[amino-[2,2-bis(diethoxyphosphoryl)ethylimino]methyl]-1H-benzimidazole-2-carboxamide IUPAC Name: N-[N'-[2,2-bis(diethoxyphosphoryl)ethyl]carbamimidoyl]-1H-benzimidazole-2-carboxamide Traditional Name: N-[N'-[2,2-bis(diethoxyphosphoryl)ethyl]amidino]-1H-benzimidazole-2-carboxamide Formula: C19H31N5O7P2 MolecularWeight: 503.426262

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CN=C(N)NC(=O)C1=NC2=CC=CC=C2N1)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(CN=C(N)NC(=O)C1=NC2=CC=CC=C2N1)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C19H31N5O7P2/c1-5-28-32(26,29-6-2)16(33(27,30-7-3)31-8-4)13-21-19(20)24-18(25)17-22-14-11-9-10-12-15(14)23-17/h9-12,16H,5-8,13H2,1-4H3,(H,22,23)(H3,20,21,24,25)