(4aR,8aS)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-phenyl-4a,8a-dihydroquinazolin-4-one

Systemtic Name: (4aR,8aS)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-phenyl-4a,8a-dihydroquinazolin-4-one Openeye Name: (4aR,8aS)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-phenyl-4a,8a-dihydroquinazolin-4-one CAS Name: (4aR,8aS)-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-3-phenyl-4a,8a-dihydroquinazolin-4-one IUPAC Name: (4aR,8aS)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-phenyl-4a,8a-dihydroquinazolin-4-one Traditional Name: (4aR,8aS)-2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-3-phenyl-4a,8a-dihydroquinazolin-4-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3C=CC=CC3C(=O)N2C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=N[C@H]3C=CC=C[C@H]3C(=O)N2C4=CC=CC=C4)C

InChI

InChI=1S/C21H20N4OS/c1-14-12-15(2)23-21(22-14)27-13-19-24-18-11-7-6-10-17(18)20(26)25(19)16-8-4-3-5-9-16/h3-12,17-18H,13H2,1-2H3/t17-,18+/m1/s1