6-azanyl-4-oxidanylidene-1-(phenylmethyl)-5-(3-thiophen-2-ylprop-2-enoylcarbamothioyl)pyrimidin-2-olate

Systemtic Name: 6-azanyl-4-oxidanylidene-1-(phenylmethyl)-5-(3-thiophen-2-ylprop-2-enoylcarbamothioyl)pyrimidin-2-olate Openeye Name: 6-amino-1-benzyl-4-oxo-5-[3-(2-thienyl)prop-2-enoylcarbamothioyl]pyrimidin-2-olate CAS Name: 6-amino-4-oxo-5-[[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-sulfanylidenemethyl]-1-(phenylmethyl)-2-pyrimidinolate IUPAC Name: 6-amino-1-benzyl-4-oxo-5-(3-thiophen-2-ylprop-2-enoylcarbamothioyl)pyrimidin-2-olate Traditional Name: 6-amino-1-benzyl-4-keto-5-[[3-(2-thienyl)acryloyl]thiocarbamoyl]pyrimidin-2-olate Formula: C19H15N4O3S2- MolecularWeight: 411.4774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2[O-])C(=S)NC(=O)C=CC3=CC=CS3)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2[O-])C(=S)NC(=O)C=CC3=CC=CS3)N

InChI

InChI=1S/C19H16N4O3S2/c20-16-15(18(27)21-14(24)9-8-13-7-4-10-28-13)17(25)22-19(26)23(16)11-12-5-2-1-3-6-12/h1-10H,11,20H2,(H,21,24,27)(H,22,25,26)/p-1