[6-(methylamino)-7-(phenylmethyl)purin-2-yl] N-methylcarbamodithioate

Systemtic Name: [6-(methylamino)-7-(phenylmethyl)purin-2-yl] N-methylcarbamodithioate Openeye Name: [7-benzyl-6-(methylamino)purin-2-yl] N-methylcarbamodithioate CAS Name: N-methylcarbamodithioic acid [6-(methylamino)-7-(phenylmethyl)-2-purinyl] ester IUPAC Name: [7-benzyl-6-(methylamino)purin-2-yl] N-methylcarbamodithioate Traditional Name: N-methylcarbamodithioic acid [7-benzyl-6-(methylamino)purin-2-yl] ester Formula: C15H16N6S2 MolecularWeight: 344.45774

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N(C=N2)CC3=CC=CC=C3)SC(=S)NC

Isomeric SMILES

CNC1=NC(=NC2=C1N(C=N2)CC3=CC=CC=C3)SC(=S)NC

InChI

InChI=1S/C15H16N6S2/c1-16-12-11-13(20-14(19-12)23-15(22)17-2)18-9-21(11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,22)(H,16,19,20)