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

Systemtic Name: 4-[[4-[(3-ethynylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-one Openeye Name: 4-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanone CAS Name: 4-[[4-(3-ethynylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-cyclohexanone IUPAC Name: 4-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-one Traditional Name: 4-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanone Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O/c1-2-13-4-3-5-15(10-13)24-19-18-17(22-12-23-19)11-21-20(26-18)25-14-6-8-16(27)9-7-14/h1,3-5,10-12,14H,6-9H2,(H,21,25,26)(H,22,23,24)