5-cyano-2-[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 5-cyano-2-[2-(cyclopentylcarbamoylamino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 5-cyano-2-[[2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 5-cyano-2-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[2-(cyclopentylcarbamoylamino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C19H18N5O3S- MolecularWeight: 396.44292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3S/c20-10-14-16(12-6-2-1-3-7-12)23-19(24-17(14)26)28-11-15(25)22-18(27)21-13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-9,11H2,(H,23,24,26)(H2,21,22,25,27)/p-1