N-[6-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methoxy-benzamide

Systemtic Name: N-[6-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methoxy-benzamide Openeye Name: N-[6-amino-2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methoxy-benzamide CAS Name: N-[6-amino-2-[(2-amino-2-oxoethyl)thio]-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-[6-amino-2-(2-amino-2-oxoethyl)sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide Traditional Name: N-[6-amino-2-[(2-amino-2-keto-ethyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C14H15N5O4S MolecularWeight: 349.365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N)N

InChI

InChI=1S/C14H15N5O4S/c1-23-8-4-2-7(3-5-8)12(21)17-10-11(16)18-14(19-13(10)22)24-6-9(15)20/h2-5H,6H2,1H3,(H2,15,20)(H,17,21)(H3,16,18,19,22)