1-[4-[(3-ethynylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-one

Systemtic Name: 1-[4-[(3-ethynylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-one Openeye Name: 1-[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-one CAS Name: 1-[4-(3-ethynylanilino)-6-pyrimido[5,4-d]pyrimidinyl]-4-piperidinone IUPAC Name: 1-[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-one Traditional Name: 1-[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-4-piperidone Formula: C19H16N6O MolecularWeight: 344.36994

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCC(=O)CC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCC(=O)CC4

InChI

InChI=1S/C19H16N6O/c1-2-13-4-3-5-14(10-13)23-18-17-16(21-12-22-18)11-20-19(24-17)25-8-6-15(26)7-9-25/h1,3-5,10-12H,6-9H2,(H,21,22,23)