N4-(4-chloranyl-3-nitro-phenyl)-N6-methyl-N6-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(4-chloranyl-3-nitro-phenyl)-N6-methyl-N6-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-chloro-3-nitro-phenyl)-N6-methyl-N6-(1-methyl-4-piperidyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-chloro-3-nitrophenyl)-N6-methyl-N6-(1-methyl-4-piperidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chloro-3-nitrophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(4-chloro-3-nitro-anilino)pyrimido[5,4-d]pyrimidin-6-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C19H21ClN8O2 MolecularWeight: 428.87544

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN8O2/c1-26-7-5-13(6-8-26)27(2)19-21-10-15-17(25-19)18(23-11-22-15)24-12-3-4-14(20)16(9-12)28(29)30/h3-4,9-11,13H,5-8H2,1-2H3,(H,22,23,24)