N-[4,6-bis(azanyl)pyrimidin-5-yl]-4-(3-nitrophenyl)carbonyl-benzamide

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-4-(3-nitrophenyl)carbonyl-benzamide Openeye Name: N-(4,6-diaminopyrimidin-5-yl)-4-(3-nitrobenzoyl)benzamide CAS Name: N-(4,6-diamino-5-pyrimidinyl)-4-[(3-nitrophenyl)-oxomethyl]benzamide IUPAC Name: N-(4,6-diaminopyrimidin-5-yl)-4-(3-nitrobenzoyl)benzamide Traditional Name: N-(4,6-diaminopyrimidin-5-yl)-4-(3-nitrobenzoyl)benzamide Formula: C18H14N6O4 MolecularWeight: 378.34156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)C(=O)NC3=C(N=CN=C3N)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)C(=O)NC3=C(N=CN=C3N)N

InChI

InChI=1S/C18H14N6O4/c19-16-14(17(20)22-9-21-16)23-18(26)11-6-4-10(5-7-11)15(25)12-2-1-3-13(8-12)24(27)28/h1-9H,(H,23,26)(H4,19,20,21,22)