2-(6-phenylmethoxyhexylsulfanyl)-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-(6-phenylmethoxyhexylsulfanyl)-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-(6-benzyloxyhexylsulfanyl)-5-(3-quinolylmethyl)-1H-pyrimidin-6-one CAS Name: 2-(6-phenylmethoxyhexylthio)-5-(3-quinolinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-(6-phenylmethoxyhexylsulfanyl)-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-(6-benzoxyhexylthio)-5-(3-quinolylmethyl)-1H-pyrimidin-6-one Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCCCSC2=NC=C(C(=O)N2)CC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCCSC2=NC=C(C(=O)N2)CC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C27H29N3O2S/c31-26-24(17-22-16-23-12-6-7-13-25(23)28-18-22)19-29-27(30-26)33-15-9-2-1-8-14-32-20-21-10-4-3-5-11-21/h3-7,10-13,16,18-19H,1-2,8-9,14-15,17,20H2,(H,29,30,31)