N-[4,6-bis(azanyl)pyrimidin-5-yl]-4-(4-nitrophenyl)butanamide

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-4-(4-nitrophenyl)butanamide Openeye Name: N-(4,6-diaminopyrimidin-5-yl)-4-(4-nitrophenyl)butanamide CAS Name: N-(4,6-diamino-5-pyrimidinyl)-4-(4-nitrophenyl)butanamide IUPAC Name: N-(4,6-diaminopyrimidin-5-yl)-4-(4-nitrophenyl)butanamide Traditional Name: N-(4,6-diaminopyrimidin-5-yl)-4-(4-nitrophenyl)butyramide Formula: C14H16N6O3 MolecularWeight: 316.31524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)NC2=C(N=CN=C2N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)NC2=C(N=CN=C2N)N)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O3/c15-13-12(14(16)18-8-17-13)19-11(21)3-1-2-9-4-6-10(7-5-9)20(22)23/h4-8H,1-3H2,(H,19,21)(H4,15,16,17,18)