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

Systemtic Name: N4-(3-chlorophenyl)-N6-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-(1-methyl-4-piperidyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-(1-methyl-4-piperidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloroanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(1-methyl-4-piperidyl)amine Formula: C18H20ClN7 MolecularWeight: 369.8513

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CN1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H20ClN7/c1-26-7-5-13(6-8-26)24-18-20-10-15-16(25-18)17(22-11-21-15)23-14-4-2-3-12(19)9-14/h2-4,9-11,13H,5-8H2,1H3,(H,20,24,25)(H,21,22,23)