4-[cycloheptyl(phenyl)amino]-N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide

Systemtic Name: 4-[cycloheptyl(phenyl)amino]-N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide Openeye Name: 4-(N-cycloheptylanilino)-N-[6-(diethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]butanamide CAS Name: 4-(N-cycloheptylanilino)-N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide IUPAC Name: 4-(N-cycloheptylanilino)-N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide Traditional Name: 4-(N-cycloheptylanilino)-N-[6-(diethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]butyramide Formula: C26H39N5OS MolecularWeight: 469.68576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N5OS/c1-4-30(5-2)25-24(26(33)28-20(3)27-25)29-23(32)18-13-19-31(22-16-11-8-12-17-22)21-14-9-6-7-10-15-21/h8,11-12,16-17,21H,4-7,9-10,13-15,18-19H2,1-3H3,(H,29,32)(H,27,28,33)