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

Systemtic Name: propan-2-yl 6-[4-(1-adamantylcarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-[4-(adamantane-1-carbonylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[4-(adamantane-1-carbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(adamantane-1-carbonylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C28H37N3O3S MolecularWeight: 495.67668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC(C)C)C

InChI

InChI=1S/C28H37N3O3S/c1-5-31-17(4)23(25(32)34-16(2)3)24(30-27(31)35)21-6-8-22(9-7-21)29-26(33)28-13-18-10-19(14-28)12-20(11-18)15-28/h6-9,16,18-20,24H,5,10-15H2,1-4H3,(H,29,33)(H,30,35)