4-[[4-[(3-nitrophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-one

Systemtic Name: 4-[[4-[(3-nitrophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-one Openeye Name: 4-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanone CAS Name: 4-[[4-(3-nitroanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-cyclohexanone IUPAC Name: 4-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-one Traditional Name: 4-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanone Formula: C18H17N7O3 MolecularWeight: 379.37268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)CCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O3/c26-14-6-4-11(5-7-14)23-18-19-9-15-16(24-18)17(21-10-20-15)22-12-2-1-3-13(8-12)25(27)28/h1-3,8-11H,4-7H2,(H,19,23,24)(H,20,21,22)