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

Systemtic Name: N6-(4-azanylcyclohexyl)-N4-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N4-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N6-(4-aminocyclohexyl)-N4-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-4-N-(3-ethynylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: (4-aminocyclohexyl)-[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amine Formula: C20H21N7 MolecularWeight: 359.42764

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCC(CC4)N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCC(CC4)N

InChI

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