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

Systemtic Name: (4R)-6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Openeye Name: (4R)-6-(1-adamantyl)-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-2-thione CAS Name: (4R)-6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione IUPAC Name: (4R)-6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Traditional Name: (4R)-6-(1-adamantyl)-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-2-thione Formula: C21H26N2S MolecularWeight: 338.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C=C(NC(=S)N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C=C(NC(=S)N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N2S/c1-13-2-4-17(5-3-13)18-9-19(23-20(24)22-18)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,9,14-16,18H,6-8,10-12H2,1H3,(H2,22,23,24)/t14?,15?,16?,18-,21?/m1/s1