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

Systemtic Name: N4-(3-chlorophenyl)-N6-(4-methoxycyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-(4-methoxycyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-(4-methoxycyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-(4-methoxycyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloroanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(4-methoxycyclohexyl)amine Formula: C19H21ClN6O MolecularWeight: 384.86264

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H21ClN6O/c1-27-15-7-5-13(6-8-15)25-19-21-10-16-17(26-19)18(23-11-22-16)24-14-4-2-3-12(20)9-14/h2-4,9-11,13,15H,5-8H2,1H3,(H,21,25,26)(H,22,23,24)