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

Systemtic Name: N4-(3-ethynylphenyl)-N6-piperidin-4-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-ethynylphenyl)-N6-(4-piperidyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-ethynylphenyl)-N6-(4-piperidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-ethynylphenyl)-6-N-piperidin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(4-piperidyl)amine Formula: C19H19N7 MolecularWeight: 345.40106

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCNCC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CCNCC4

InChI

InChI=1S/C19H19N7/c1-2-13-4-3-5-15(10-13)24-18-17-16(22-12-23-18)11-21-19(26-17)25-14-6-8-20-9-7-14/h1,3-5,10-12,14,20H,6-9H2,(H,21,25,26)(H,22,23,24)