(5S)-2-methylsulfanyl-1-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-4,6-dione

Systemtic Name: (5S)-2-methylsulfanyl-1-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-4,6-dione Openeye Name: (5S)-5-[(4-isopropoxyphenyl)methyl]-2-methylsulfanyl-1-phenyl-pyrimidine-4,6-dione CAS Name: (5S)-2-(methylthio)-1-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-4,6-dione IUPAC Name: (5S)-2-methylsulfanyl-1-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-4,6-dione Traditional Name: (5S)-5-(4-isopropoxybenzyl)-2-(methylthio)-1-phenyl-pyrimidine-4,6-quinone Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC2C(=O)N=C(N(C2=O)C3=CC=CC=C3)SC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C[C@H]2C(=O)N=C(N(C2=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C21H22N2O3S/c1-14(2)26-17-11-9-15(10-12-17)13-18-19(24)22-21(27-3)23(20(18)25)16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3/t18-/m0/s1