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

Systemtic Name: N4-(3-ethynylphenyl)-N6-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-ethynylphenyl)-N6-(1-methyl-4-piperidyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-ethynylphenyl)-N6-(1-methyl-4-piperidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-ethynylphenyl)-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]-(1-methyl-4-piperidyl)amine Formula: C20H21N7 MolecularWeight: 359.42764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7/c1-3-14-5-4-6-16(11-14)24-19-18-17(22-13-23-19)12-21-20(26-18)25-15-7-9-27(2)10-8-15/h1,4-6,11-13,15H,7-10H2,2H3,(H,21,25,26)(H,22,23,24)