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

Systemtic Name: 4-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexane-1-carboxamide Openeye Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanecarboxamide CAS Name: 4-[[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-cyclohexanecarboxamide IUPAC Name: 4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexane-1-carboxamide Traditional Name: 4-[[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanecarboxamide Formula: C20H23N7O MolecularWeight: 377.44292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N7O/c1-12-3-2-4-15(9-12)25-19-17-16(23-11-24-19)10-22-20(27-17)26-14-7-5-13(6-8-14)18(21)28/h2-4,9-11,13-14H,5-8H2,1H3,(H2,21,28)(H,22,26,27)(H,23,24,25)