N-dimethoxyphosphoryl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine

Systemtic Name: N-dimethoxyphosphoryl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Openeye Name: N-dimethoxyphosphoryl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine CAS Name: N-dimethoxyphosphoryl-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolamine IUPAC Name: N-dimethoxyphosphoryl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Traditional Name: dimethoxyphosphoryl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amine Formula: C21H23N6O3P MolecularWeight: 438.419481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NP(=O)(OC)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NP(=O)(OC)OC

InChI

InChI=1S/C21H23N6O3P/c1-15(16-7-5-4-6-8-16)24-21-22-12-11-20(25-21)27-14-23-18-13-17(9-10-19(18)27)26-31(28,29-2)30-3/h4-15H,1-3H3,(H,26,28)(H,22,24,25)