methyl (1E)-N-[8-[(2-acetamido-6-oxidanylidene-1,4-dihydropurin-8-yl)disulfanyl]-6-oxidanylidene-1,4-dihydropurin-2-yl]methanimidate

Systemtic Name: methyl (1E)-N-[8-[(2-acetamido-6-oxidanylidene-1,4-dihydropurin-8-yl)disulfanyl]-6-oxidanylidene-1,4-dihydropurin-2-yl]methanimidate Openeye Name: methyl (1E)-N-[8-[(2-acetamido-6-oxo-1,4-dihydropurin-8-yl)disulfanyl]-6-oxo-1,4-dihydropurin-2-yl]methanimidate CAS Name: (1E)-N-[8-[(2-acetamido-6-oxo-1,4-dihydropurin-8-yl)disulfanyl]-6-oxo-1,4-dihydropurin-2-yl]methanimidic acid methyl ester IUPAC Name: methyl (1E)-N-[8-[(2-acetamido-6-oxo-1,4-dihydropurin-8-yl)disulfanyl]-6-oxo-1,4-dihydropurin-2-yl]methanimidate Traditional Name: (1E)-N-[8-[(2-acetamido-6-keto-1,4-dihydropurin-8-yl)disulfanyl]-6-keto-1,4-dihydropurin-2-yl]formimidic acid methyl ester Formula: C14H12N10O4S2 MolecularWeight: 448.43968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2C(=NC(=N2)SSC3=NC4C(=N3)C(=O)NC(=N4)N=COC)C(=O)N1

Isomeric SMILES

CC(=O)NC1=NC2C(=NC(=N2)SSC3=NC4C(=N3)C(=O)NC(=N4)/N=C/OC)C(=O)N1

InChI

InChI=1S/C14H12N10O4S2/c1-4(25)16-12-20-8-6(10(27)24-12)18-14(22-8)30-29-13-17-5-7(21-13)19-11(15-3-28-2)23-9(5)26/h3,7-8H,1-2H3,(H,19,23,26)(H2,16,20,24,25,27)/b15-3+