3-[(3-hydroxyphenyl)amino]-1-(phenylmethyl)-4-pyrimidin-2-ylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-[(3-hydroxyphenyl)amino]-1-(phenylmethyl)-4-pyrimidin-2-ylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(3-hydroxyanilino)-4-pyrimidin-2-ylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3-hydroxyanilino)-1-(phenylmethyl)-4-(2-pyrimidinylthio)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(3-hydroxyanilino)-4-pyrimidin-2-ylsulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3-hydroxyanilino)-4-(2-pyrimidylthio)-3-pyrroline-2,5-quinone Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=NC=CC=N3)NC4=CC(=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=NC=CC=N3)NC4=CC(=CC=C4)O

InChI

InChI=1S/C21H16N4O3S/c26-16-9-4-8-15(12-16)24-17-18(29-21-22-10-5-11-23-21)20(28)25(19(17)27)13-14-6-2-1-3-7-14/h1-12,24,26H,13H2