N-[(2S)-1-azanyl-3-(diphenylamino)-1-oxidanylidene-propan-2-yl]-2-[2-(methylamino)pyrimidin-4-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-3-(diphenylamino)-1-oxidanylidene-propan-2-yl]-2-[2-(methylamino)pyrimidin-4-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-2-amino-2-oxo-1-[(N-phenylanilino)methyl]ethyl]-2-[2-(methylamino)pyrimidin-4-yl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-(N-phenylanilino)propan-2-yl]-2-[2-(methylamino)-4-pyrimidinyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-(N-phenylanilino)propan-2-yl]-2-[2-(methylamino)pyrimidin-4-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-amino-2-keto-1-[(N-phenylanilino)methyl]ethyl]-2-[2-(methylamino)pyrimidin-4-yl]-3H-benzimidazole-5-carboxamide Formula: C28H26N8O2 MolecularWeight: 506.55844

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=N1)C2=NC3=C(N2)C=C(C=C3)C(=O)NC(CN(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

CNC1=NC=CC(=N1)C2=NC3=C(N2)C=C(C=C3)C(=O)N[C@@H](CN(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C28H26N8O2/c1-30-28-31-15-14-22(35-28)26-32-21-13-12-18(16-23(21)33-26)27(38)34-24(25(29)37)17-36(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,24H,17H2,1H3,(H2,29,37)(H,32,33)(H,34,38)(H,30,31,35)/t24-/m0/s1