3-[(2R)-butan-2-yl]-5-ethyl-6-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidin-4-olate

Systemtic Name: 3-[(2R)-butan-2-yl]-5-ethyl-6-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanyl-5-ethyl-3-[(1R)-1-methylpropyl]-6-oxo-pyrimidin-4-olate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-3-[(2R)-butan-2-yl]-5-ethyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanyl-3-[(2R)-butan-2-yl]-5-ethyl-6-oxopyrimidin-4-olate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-5-ethyl-6-keto-3-[(1R)-1-methylpropyl]pyrimidin-4-olate Formula: C18H22N3O3S- MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2)C(C)CC)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2)[C@H](C)CC)[O-]

InChI

InChI=1S/C18H23N3O3S/c1-4-12(3)21-17(24)14(5-2)16(23)20-18(21)25-11-15(22)19-13-9-7-6-8-10-13/h6-10,12,24H,4-5,11H2,1-3H3,(H,19,22)/p-1/t12-/m1/s1