3-[6-azanyl-2-(cyanoamino)-5-(4-methylphenyl)pyrimidin-4-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 3-[6-azanyl-2-(cyanoamino)-5-(4-methylphenyl)pyrimidin-4-yl]-N-(2-nitrophenyl)propanamide Openeye Name: 3-[6-amino-2-(cyanoamino)-5-(p-tolyl)pyrimidin-4-yl]-N-(2-nitrophenyl)propanamide CAS Name: 3-[6-amino-2-(cyanoamino)-5-(4-methylphenyl)-4-pyrimidinyl]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-[6-amino-2-(cyanoamino)-5-(4-methylphenyl)pyrimidin-4-yl]-N-(2-nitrophenyl)propanamide Traditional Name: 3-[6-amino-2-(cyanoamino)-5-(p-tolyl)pyrimidin-4-yl]-N-(2-nitrophenyl)propionamide Formula: C21H19N7O3 MolecularWeight: 417.42066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N=C2N)NC#N)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N=C2N)NC#N)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H19N7O3/c1-13-6-8-14(9-7-13)19-16(26-21(24-12-22)27-20(19)23)10-11-18(29)25-15-4-2-3-5-17(15)28(30)31/h2-9H,10-11H2,1H3,(H,25,29)(H3,23,24,26,27)