3,6-dimethyl-2-(1-oxidanylidene-1-pyrrolidin-1-yl-pentan-2-yl)sulfanyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-2-(1-oxidanylidene-1-pyrrolidin-1-yl-pentan-2-yl)sulfanyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-3,6-dimethyl-2-[1-(pyrrolidine-1-carbonyl)butylsulfanyl]pyrimidin-4-one CAS Name: 3,6-dimethyl-2-[[1-oxo-1-(1-pyrrolidinyl)pentan-2-yl]thio]-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-3,6-dimethyl-2-(1-oxo-1-pyrrolidin-1-ylpentan-2-yl)sulfanylpyrimidin-4-one Traditional Name: 5-benzyl-3,6-dimethyl-2-[1-(pyrrolidine-1-carbonyl)butylthio]pyrimidin-4-one Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCCC1)SC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCCC(C(=O)N1CCCC1)SC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O2S/c1-4-10-19(21(27)25-13-8-9-14-25)28-22-23-16(2)18(20(26)24(22)3)15-17-11-6-5-7-12-17/h5-7,11-12,19H,4,8-10,13-15H2,1-3H3