2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-6-oxo-5-(phenylmethyl)-1H-pyrimidin-4-olate IUPAC Name: 5-benzyl-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-benzyl-6-keto-2-[[2-keto-2-(p-phenetidino)ethyl]thio]-1H-pyrimidin-4-olate Formula: C21H20N3O4S- MolecularWeight: 410.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-2-28-16-10-8-15(9-11-16)22-18(25)13-29-21-23-19(26)17(20(27)24-21)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,25)(H2,23,24,26,27)/p-1