N6-(1-methylpiperidin-4-yl)-N4-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(1-methylpiperidin-4-yl)-N4-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(1-methyl-4-piperidyl)-N4-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N6-(1-methyl-4-piperidinyl)-N4-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(1-methylpiperidin-4-yl)-4-N-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: (1-methyl-4-piperidyl)-[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amine Formula: C18H20N8O2 MolecularWeight: 380.4038

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N8O2/c1-25-7-5-12(6-8-25)23-18-19-10-15-16(24-18)17(21-11-20-15)22-13-3-2-4-14(9-13)26(27)28/h2-4,9-12H,5-8H2,1H3,(H,19,23,24)(H,20,21,22)