methyl 4-[2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C15H14N6O4S MolecularWeight: 374.37446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C15H14N6O4S/c1-25-13(24)7-2-4-8(5-3-7)17-9(22)6-26-15-18-10-11(20-15)19-14(16)21-12(10)23/h2-5H,6H2,1H3,(H,17,22)(H4,16,18,19,20,21,23)