2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-prop-2-enyl-pyrimidin-4-olate Openeye Name: 3-allyl-2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-6-oxo-3-prop-2-enyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-6-oxo-3-prop-2-enylpyrimidin-4-olate Traditional Name: 3-allyl-2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-6-keto-pyrimidin-4-olate Formula: C15H13BrN3O3S- MolecularWeight: 395.25102

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=C(C=C2)Br)[O-]

InChI

InChI=1S/C15H14BrN3O3S/c1-2-7-19-14(22)8-12(20)18-15(19)23-9-13(21)17-11-5-3-10(16)4-6-11/h2-6,8,22H,1,7,9H2,(H,17,21)/p-1