N-(6-azanyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-4-bromanyl-benzamide

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-4-bromanyl-benzamide Openeye Name: N-(2-allylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-4-bromo-benzamide CAS Name: N-[6-amino-4-oxo-2-(prop-2-enylthio)-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-(6-amino-4-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-4-bromobenzamide Traditional Name: N-[2-(allylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C14H13BrN4O2S MolecularWeight: 381.24762

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C=CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H13BrN4O2S/c1-2-7-22-14-18-11(16)10(13(21)19-14)17-12(20)8-3-5-9(15)6-4-8/h2-6H,1,7H2,(H,17,20)(H3,16,18,19,21)