3-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbothioamide

Systemtic Name: 3-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbothioamide Openeye Name: 3-[(2,4-dioxopyrimidin-1-yl)methyl]benzenecarbothioamide CAS Name: 3-[(2,4-dioxo-1-pyrimidinyl)methyl]benzenecarbothioamide IUPAC Name: 3-[(2,4-dioxopyrimidin-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(2,4-diketopyrimidin-1-yl)methyl]thiobenzamide Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=CC(=O)NC2=O)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CC(=O)NC2=O)C(=S)N

InChI

InChI=1S/C12H11N3O2S/c13-11(18)9-3-1-2-8(6-9)7-15-5-4-10(16)14-12(15)17/h1-6H,7H2,(H2,13,18)(H,14,16,17)