2-[[4-(4-aminocarbonylpiperidin-1-yl)phenyl]amino]-4-(cyclobutylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[[4-(4-aminocarbonylpiperidin-1-yl)phenyl]amino]-4-(cyclobutylamino)pyrimidine-5-carboxamide Openeye Name: 2-[4-(4-carbamoyl-1-piperidyl)anilino]-4-(cyclobutylamino)pyrimidine-5-carboxamide CAS Name: 2-[4-(4-carbamoyl-1-piperidinyl)anilino]-4-(cyclobutylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-(4-carbamoylpiperidin-1-yl)anilino]-4-(cyclobutylamino)pyrimidine-5-carboxamide Traditional Name: 2-[4-(4-carbamoylpiperidino)anilino]-4-(cyclobutylamino)pyrimidine-5-carboxamide Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)N4CCC(CC4)C(=O)N

Isomeric SMILES

C1CC(C1)NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C21H27N7O2/c22-18(29)13-8-10-28(11-9-13)16-6-4-15(5-7-16)26-21-24-12-17(19(23)30)20(27-21)25-14-2-1-3-14/h4-7,12-14H,1-3,8-11H2,(H2,22,29)(H2,23,30)(H2,24,25,26,27)