5-[(4-tert-butylphenyl)methyl]-2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one

Systemtic Name: 5-[(4-tert-butylphenyl)methyl]-2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one Openeye Name: 5-[(4-tert-butylphenyl)methyl]-2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxo-pentyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one CAS Name: 5-[(4-tert-butylphenyl)methyl]-2-[[5-[4-(4-methoxyphenyl)-1-piperazinyl]-5-oxopentyl]thio]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 5-[(4-tert-butylphenyl)methyl]-2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl]sulfanyl-3,6-dimethylpyrimidin-4-one Traditional Name: 5-(4-tert-butylbenzyl)-2-[[5-keto-5-[4-(4-methoxyphenyl)piperazino]pentyl]thio]-3,6-dimethyl-pyrimidin-4-one Formula: C33H44N4O3S MolecularWeight: 576.79246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C)CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C)CC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C33H44N4O3S/c1-24-29(23-25-10-12-26(13-11-25)33(2,3)4)31(39)35(5)32(34-24)41-22-8-7-9-30(38)37-20-18-36(19-21-37)27-14-16-28(40-6)17-15-27/h10-17H,7-9,18-23H2,1-6H3