N-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propyl]-3-nitro-benzamide

Systemtic Name: N-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propyl]-3-nitro-benzamide Openeye Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-3-nitro-benzamide CAS Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-3-nitrobenzamide IUPAC Name: N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]-3-nitrobenzamide Traditional Name: N-[3-(2-amino-4-keto-6-phenyl-1H-pyrimidin-5-yl)propyl]-3-nitro-benzamide Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c21-20-23-17(13-6-2-1-3-7-13)16(19(27)24-20)10-5-11-22-18(26)14-8-4-9-15(12-14)25(28)29/h1-4,6-9,12H,5,10-11H2,(H,22,26)(H3,21,23,24,27)