1-butyl-5-[(1-butyl-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-[4-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-butyl-5-[(1-butyl-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)-[4-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-butyl-5-[(1-butyl-6-hydroxy-4-oxo-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 1-butyl-5-[(1-butyl-6-hydroxy-4-oxo-2-sulfanylidene-5-pyrimidinyl)-[4-methoxy-3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]phenyl]methyl]-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-butyl-5-[(1-butyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)-[4-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-butyl-5-[(1-butyl-6-hydroxy-4-keto-2-thioxo-pyrimidin-5-yl)-[4-methoxy-3-[[4-(2-methoxyphenyl)piperazino]methyl]phenyl]methyl]-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C36H46N6O6S2 MolecularWeight: 722.91704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)CN3CCN(CC3)C4=CC=CC=C4OC)C5=C(N(C(=S)NC5=O)CCCC)O)O

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)CN3CCN(CC3)C4=CC=CC=C4OC)C5=C(N(C(=S)NC5=O)CCCC)O)O

InChI

InChI=1S/C36H46N6O6S2/c1-5-7-15-41-33(45)29(31(43)37-35(41)49)28(30-32(44)38-36(50)42(34(30)46)16-8-6-2)23-13-14-26(47-3)24(21-23)22-39-17-19-40(20-18-39)25-11-9-10-12-27(25)48-4/h9-14,21,28,45-46H,5-8,15-20,22H2,1-4H3,(H,37,43,49)(H,38,44,50)