3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)sulfanyl-pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)sulfanyl-pyrimidin-4-one Openeye Name: 3,6-dimethyl-5-(m-tolylmethyl)-2-(4-oxo-4-pyrrolidin-1-yl-butyl)sulfanyl-pyrimidin-4-one CAS Name: 3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-[[4-oxo-4-(1-pyrrolidinyl)butyl]thio]-4-pyrimidinone IUPAC Name: 3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-(4-oxo-4-pyrrolidin-1-ylbutyl)sulfanylpyrimidin-4-one Traditional Name: 2-[(4-keto-4-pyrrolidino-butyl)thio]-3,6-dimethyl-5-(3-methylbenzyl)pyrimidin-4-one Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCCCC(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCCCC(=O)N3CCCC3)C

InChI

InChI=1S/C22H29N3O2S/c1-16-8-6-9-18(14-16)15-19-17(2)23-22(24(3)21(19)27)28-13-7-10-20(26)25-11-4-5-12-25/h6,8-9,14H,4-5,7,10-13,15H2,1-3H3