N4-(3-nitrophenyl)-N6-piperidin-4-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-nitrophenyl)-N6-piperidin-4-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-nitrophenyl)-N6-(4-piperidyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-nitrophenyl)-N6-(4-piperidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-nitrophenyl)-6-N-piperidin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(4-piperidyl)amine Formula: C17H18N8O2 MolecularWeight: 366.37722

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N8O2/c26-25(27)13-3-1-2-12(8-13)22-16-15-14(20-10-21-16)9-19-17(24-15)23-11-4-6-18-7-5-11/h1-3,8-11,18H,4-7H2,(H,19,23,24)(H,20,21,22)