methyl N-(2-prop-2-ynylsulfanyl-7H-purin-8-yl)carbamate

Systemtic Name: methyl N-(2-prop-2-ynylsulfanyl-7H-purin-8-yl)carbamate Openeye Name: methyl N-(2-prop-2-ynylsulfanyl-7H-purin-8-yl)carbamate CAS Name: N-[2-(prop-2-ynylthio)-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-(2-prop-2-ynylsulfanyl-7H-purin-8-yl)carbamate Traditional Name: N-[2-(propargylthio)-7H-purin-8-yl]carbamic acid methyl ester Formula: C10H9N5O2S MolecularWeight: 263.27576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=NC(=NC=C2N1)SCC#C

Isomeric SMILES

COC(=O)NC1=NC2=NC(=NC=C2N1)SCC#C

InChI

InChI=1S/C10H9N5O2S/c1-3-4-18-9-11-5-6-7(14-9)13-8(12-6)15-10(16)17-2/h1,5H,4H2,2H3,(H2,11,12,13,14,15,16)