(4R)-6-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione

Systemtic Name: (4R)-6-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Openeye Name: (4R)-6-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione CAS Name: (4R)-6-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione IUPAC Name: (4R)-6-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Traditional Name: (4R)-6-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(NC(=S)N2)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-25-18-4-3-16(8-19(18)26-2)17-9-20(24-21(27)23-17)22-10-13-5-14(11-22)7-15(6-13)12-22/h3-4,8-9,13-15,17H,5-7,10-12H2,1-2H3,(H2,23,24,27)/t13?,14?,15?,17-,22?/m1/s1