(4R)-6-(1-adamantyl)-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione

Systemtic Name: (4R)-6-(1-adamantyl)-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Openeye Name: (4R)-6-(1-adamantyl)-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione CAS Name: (4R)-6-(1-adamantyl)-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione IUPAC Name: (4R)-6-(1-adamantyl)-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Traditional Name: (4R)-6-(1-adamantyl)-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C=C(NC(=S)N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2C=C(NC(=S)N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N2O3S/c1-26-18-7-16(8-19(27-2)21(18)28-3)17-9-20(25-22(29)24-17)23-10-13-4-14(11-23)6-15(5-13)12-23/h7-9,13-15,17H,4-6,10-12H2,1-3H3,(H2,24,25,29)/t13?,14?,15?,17-,23?/m1/s1