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

Systemtic Name: (4R)-6-(1-adamantyl)-4-(2-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Openeye Name: (4R)-6-(1-adamantyl)-4-(2-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione CAS Name: (4R)-6-(1-adamantyl)-4-(2-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione IUPAC Name: (4R)-6-(1-adamantyl)-4-(2-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Traditional Name: (4R)-6-(1-adamantyl)-4-(2-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C=C(NC(=S)N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2OS/c1-24-18-5-3-2-4-16(18)17-9-19(23-20(25)22-17)21-10-13-6-14(11-21)8-15(7-13)12-21/h2-5,9,13-15,17H,6-8,10-12H2,1H3,(H2,22,23,25)/t13?,14?,15?,17-,21?/m1/s1