3,6-dimethyl-2-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-2-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one CAS Name: 3,6-dimethyl-2-[[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]thio]-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]sulfanyl-3,6-dimethylpyrimidin-4-one Traditional Name: 5-benzyl-2-[[4-(4-benzylpiperazino)-4-keto-butyl]thio]-3,6-dimethyl-pyrimidin-4-one Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O2S/c1-22-25(20-23-10-5-3-6-11-23)27(34)30(2)28(29-22)35-19-9-14-26(33)32-17-15-31(16-18-32)21-24-12-7-4-8-13-24/h3-8,10-13H,9,14-21H2,1-2H3