4-[cycloheptyl(phenyl)amino]-N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]butanamide

Systemtic Name: 4-[cycloheptyl(phenyl)amino]-N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]butanamide Openeye Name: 4-(N-cycloheptylanilino)-N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]butanamide CAS Name: 4-(N-cycloheptylanilino)-N-[4-(diethylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]butanamide IUPAC Name: 4-(N-cycloheptylanilino)-N-[4-(diethylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]butanamide Traditional Name: 4-(N-cycloheptylanilino)-N-[4-(diethylamino)-2-methyl-6-(methylthio)pyrimidin-5-yl]butyramide Formula: C27H41N5OS MolecularWeight: 483.71234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=NC(=N1)C)SC)NC(=O)CCCN(C2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=C(C(=NC(=N1)C)SC)NC(=O)CCCN(C2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C27H41N5OS/c1-5-31(6-2)26-25(27(34-4)29-21(3)28-26)30-24(33)19-14-20-32(23-17-12-9-13-18-23)22-15-10-7-8-11-16-22/h9,12-13,17-18,22H,5-8,10-11,14-16,19-20H2,1-4H3,(H,30,33)