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

Systemtic Name: N4-(3-ethynylphenyl)-N6-(4-methoxycyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-ethynylphenyl)-N6-(4-methoxycyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-ethynylphenyl)-N6-(4-methoxycyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-ethynylphenyl)-6-N-(4-methoxycyclohexyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(4-methoxycyclohexyl)amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O/c1-3-14-5-4-6-16(11-14)25-20-19-18(23-13-24-20)12-22-21(27-19)26-15-7-9-17(28-2)10-8-15/h1,4-6,11-13,15,17H,7-10H2,2H3,(H,22,26,27)(H,23,24,25)