propan-2-yl 6-[4-(1-adamantylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 6-[4-(1-adamantylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-[4-(adamantane-1-carbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[4-(adamantane-1-carbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(adamantane-1-carbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC(C)C

InChI

InChI=1S/C27H35N3O3S/c1-15(2)33-24(31)22-16(3)30(4)26(34)29-23(22)20-5-7-21(8-6-20)28-25(32)27-12-17-9-18(13-27)11-19(10-17)14-27/h5-8,15,17-19,23H,9-14H2,1-4H3,(H,28,32)(H,29,34)