2-[4-[[6-butyl-2-(methylaminosulfanylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[6-butyl-2-(methylaminosulfanylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[6-butyl-2-(methylaminosulfanylcarbonylamino)-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-butyl-2-[[(methylaminothio)-oxomethyl]amino]-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-butyl-2-(methylaminosulfanylcarbonylamino)-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-butyl-4-keto-2-[(methylaminothio)carbonylamino]-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)NC(=O)SNC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)NC(=O)SNC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H26N4O4S/c1-3-4-9-20-19(21(29)27-23(26-20)28-24(32)33-25-2)14-15-10-12-16(13-11-15)17-7-5-6-8-18(17)22(30)31/h5-8,10-13,25H,3-4,9,14H2,1-2H3,(H,30,31)(H2,26,27,28,29,32)