(6S)-4-(1-adamantyl)-6-(2,5-dimethoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione

Systemtic Name: (6S)-4-(1-adamantyl)-6-(2,5-dimethoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione Openeye Name: (6S)-4-(1-adamantyl)-6-(2,5-dimethoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione CAS Name: (6S)-4-(1-adamantyl)-6-(2,5-dimethoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione IUPAC Name: (6S)-4-(1-adamantyl)-6-(2,5-dimethoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione Traditional Name: (6S)-4-(1-adamantyl)-6-(2,5-dimethoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CC(=NC(=S)N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@@H]2CC(=NC(=S)N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N2O2S/c1-25-16-3-4-19(26-2)17(8-16)18-9-20(24-21(27)23-18)22-10-13-5-14(11-22)7-15(6-13)12-22/h3-4,8,13-15,18H,5-7,9-12H2,1-2H3,(H,23,27)/t13?,14?,15?,18-,22?/m0/s1