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

Systemtic Name: (4R)-6-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-pyrimidine-2-thione Openeye Name: (4R)-6-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-pyrimidine-2-thione CAS Name: (4R)-6-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-pyrimidine-2-thione IUPAC Name: (4R)-6-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-pyrimidine-2-thione Traditional Name: (4R)-6-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-pyrimidine-2-thione Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(NC(=S)N4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C[C@@H](NC(=S)N4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C21H24N2O2S/c26-20-22-16(15-1-2-17-18(6-15)25-11-24-17)7-19(23-20)21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6-7,12-14,16H,3-5,8-11H2,(H2,22,23,26)/t12?,13?,14?,16-,21?/m1/s1