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

Systemtic Name: 4-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-one Openeye Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanone CAS Name: 4-[[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-cyclohexanone IUPAC Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-one Traditional Name: 4-[[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanone Formula: C19H20N6O MolecularWeight: 348.4017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O/c1-12-3-2-4-14(9-12)23-18-17-16(21-11-22-18)10-20-19(25-17)24-13-5-7-15(26)8-6-13/h2-4,9-11,13H,5-8H2,1H3,(H,20,24,25)(H,21,22,23)