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

Systemtic Name: 5-ethyl-6-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-4-olate Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-ethyl-6-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1H-pyrimidin-4-olate IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-ethyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-5-ethyl-6-keto-1H-pyrimidin-4-olate Formula: C15H16N3O3S- MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SCC(=O)NCC2=CC=CC=C2)[O-]

Isomeric SMILES

CCC1=C(N=C(NC1=O)SCC(=O)NCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H17N3O3S/c1-2-11-13(20)17-15(18-14(11)21)22-9-12(19)16-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,16,19)(H2,17,18,20,21)/p-1