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

Systemtic Name: 2-methylpropyl 6-[4-(1-adamantylcarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C29H39N3O3S MolecularWeight: 509.70326

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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)OCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O3S/c1-5-32-18(4)24(26(33)35-16-17(2)3)25(31-28(32)36)22-6-8-23(9-7-22)30-27(34)29-13-19-10-20(14-29)12-21(11-19)15-29/h6-9,17,19-21,25H,5,10-16H2,1-4H3,(H,30,34)(H,31,36)