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

Systemtic Name: N4-(3-ethynylphenyl)-N6-methyl-N6-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-ethynylphenyl)-N6-methyl-N6-(1-methyl-4-piperidyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-ethynylphenyl)-N6-methyl-N6-(1-methyl-4-piperidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-ethynylphenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C21H23N7 MolecularWeight: 373.45422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC=CC(=C4)C#C

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C21H23N7/c1-4-15-6-5-7-16(12-15)25-20-19-18(23-14-24-20)13-22-21(26-19)28(3)17-8-10-27(2)11-9-17/h1,5-7,12-14,17H,8-11H2,2-3H3,(H,23,24,25)