4-[4-azanyl-5-(1H-benzimidazol-2-yl)-2-(cyanoamino)-1,4-dihydropyrimidin-6-yl]-N-(3-nitrophenyl)butanamide

Systemtic Name: 4-[4-azanyl-5-(1H-benzimidazol-2-yl)-2-(cyanoamino)-1,4-dihydropyrimidin-6-yl]-N-(3-nitrophenyl)butanamide Openeye Name: 4-[4-amino-5-(1H-benzimidazol-2-yl)-2-(cyanoamino)-1,4-dihydropyrimidin-6-yl]-N-(3-nitrophenyl)butanamide CAS Name: 4-[4-amino-5-(1H-benzimidazol-2-yl)-2-(cyanoamino)-1,4-dihydropyrimidin-6-yl]-N-(3-nitrophenyl)butanamide IUPAC Name: 4-[4-amino-5-(1H-benzimidazol-2-yl)-2-(cyanoamino)-1,4-dihydropyrimidin-6-yl]-N-(3-nitrophenyl)butanamide Traditional Name: 4-[4-amino-5-(1H-benzimidazol-2-yl)-2-(cyanoamino)-1,4-dihydropyrimidin-6-yl]-N-(3-nitrophenyl)butyramide Formula: C22H21N9O3 MolecularWeight: 459.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=C(NC(=NC3N)NC#N)CCCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=C(NC(=NC3N)NC#N)CCCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N9O3/c23-12-25-22-29-17(9-4-10-18(32)26-13-5-3-6-14(11-13)31(33)34)19(20(24)30-22)21-27-15-7-1-2-8-16(15)28-21/h1-3,5-8,11,20H,4,9-10,24H2,(H,26,32)(H,27,28)(H2,25,29,30)