methyl 2-[[8-(aminocarbamoyl)-7H-purin-6-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[8-(aminocarbamoyl)-7H-purin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[8-(hydrazinecarbonyl)-7H-purin-6-yl]sulfanyl]acetate CAS Name: 2-[[8-(hydrazinecarbonyl)-7H-purin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[8-(hydrazinecarbonyl)-7H-purin-6-yl]sulfanyl]acetate Traditional Name: 2-[(8-carbazoyl-7H-purin-6-yl)thio]acetic acid methyl ester Formula: C9H10N6O3S MolecularWeight: 282.2791

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=NC2=C1NC(=N2)C(=O)NN

Isomeric SMILES

COC(=O)CSC1=NC=NC2=C1NC(=N2)C(=O)NN

InChI

InChI=1S/C9H10N6O3S/c1-18-4(16)2-19-9-5-6(11-3-12-9)14-7(13-5)8(17)15-10/h3H,2,10H2,1H3,(H,15,17)(H,11,12,13,14)