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

Systemtic Name: N-methyl-4-[[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexane-1-carboxamide Openeye Name: N-methyl-4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanecarboxamide CAS Name: N-methyl-4-[[4-(3-methylanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-cyclohexanecarboxamide IUPAC Name: N-methyl-4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexane-1-carboxamide Traditional Name: N-methyl-4-[[4-(m-toluidino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanecarboxamide Formula: C21H25N7O MolecularWeight: 391.4695

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7O/c1-13-4-3-5-16(10-13)26-19-18-17(24-12-25-19)11-23-21(28-18)27-15-8-6-14(7-9-15)20(29)22-2/h3-5,10-12,14-15H,6-9H2,1-2H3,(H,22,29)(H,23,27,28)(H,24,25,26)