2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-hexan-2-yl]sulfanyl-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-hexan-2-yl]sulfanyl-3,6-dimethyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pentylsulfanyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxohexan-2-yl]thio]-3,6-dimethyl-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxohexan-2-yl]sulfanyl-3,6-dimethylpyrimidin-4-one Traditional Name: 5-benzyl-2-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pentylthio]-3,6-dimethyl-pyrimidin-4-one Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=C(C(=O)N3C)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=C(C(=O)N3C)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H33N3O2S/c1-4-5-15-25(27(33)31-17-16-22-13-9-10-14-23(22)19-31)34-28-29-20(2)24(26(32)30(28)3)18-21-11-7-6-8-12-21/h6-14,25H,4-5,15-19H2,1-3H3