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

Systemtic Name: (6S)-4-(1-adamantyl)-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione Openeye Name: (6S)-4-(1-adamantyl)-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione CAS Name: (6S)-4-(1-adamantyl)-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione IUPAC Name: (6S)-4-(1-adamantyl)-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione Traditional Name: (6S)-4-(1-adamantyl)-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidine-2-thione Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2OS/c1-24-17-4-2-16(3-5-17)18-9-19(23-20(25)22-18)21-10-13-6-14(11-21)8-15(7-13)12-21/h2-5,13-15,18H,6-12H2,1H3,(H,22,25)/t13?,14?,15?,18-,21?/m0/s1