6-azanyl-5-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-2-one

Systemtic Name: 6-azanyl-5-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-2-one Openeye Name: 6-amino-5-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-2-one CAS Name: 6-amino-5-[[2-(4-azidophenyl)-2-oxoethyl]thio]-1H-pyrimidin-2-one IUPAC Name: 6-amino-5-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-2-one Traditional Name: 6-amino-5-[[2-(4-azidophenyl)-2-keto-ethyl]thio]-1H-pyrimidin-2-one Formula: C12H10N6O2S MolecularWeight: 302.3118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=C(NC(=O)N=C2)N)N=[N+]=[N-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=C(NC(=O)N=C2)N)N=[N+]=[N-]

InChI

InChI=1S/C12H10N6O2S/c13-11-10(5-15-12(20)16-11)21-6-9(19)7-1-3-8(4-2-7)17-18-14/h1-5H,6H2,(H3,13,15,16,20)