2-[8-(4-methylnaphthalen-1-yl)-8-oxidanylidene-octyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[8-(4-methylnaphthalen-1-yl)-8-oxidanylidene-octyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[8-(4-methyl-1-naphthyl)-8-oxo-octyl]sulfanyl-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[[8-(4-methyl-1-naphthalenyl)-8-oxooctyl]thio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[8-(4-methylnaphthalen-1-yl)-8-oxooctyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[[8-keto-8-(4-methyl-1-naphthyl)octyl]thio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)C(=O)CCCCCCCSC3=NC=C(C(=O)N3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)C(=O)CCCCCCCSC3=NC=C(C(=O)N3)CC4=CN=CC=C4

InChI

InChI=1S/C29H31N3O2S/c1-21-14-15-26(25-12-7-6-11-24(21)25)27(33)13-5-3-2-4-8-17-35-29-31-20-23(28(34)32-29)18-22-10-9-16-30-19-22/h6-7,9-12,14-16,19-20H,2-5,8,13,17-18H2,1H3,(H,31,32,34)