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

Systemtic Name: [6-(methylamino)-7-nonyl-purin-2-yl] N-methylcarbamodithioate Openeye Name: [6-(methylamino)-7-nonyl-purin-2-yl] N-methylcarbamodithioate CAS Name: N-methylcarbamodithioic acid [6-(methylamino)-7-nonyl-2-purinyl] ester IUPAC Name: [6-(methylamino)-7-nonylpurin-2-yl] N-methylcarbamodithioate Traditional Name: N-methylcarbamodithioic acid [6-(methylamino)-7-nonyl-purin-2-yl] ester Formula: C17H28N6S2 MolecularWeight: 380.57442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C=NC2=C1C(=NC(=N2)SC(=S)NC)NC

Isomeric SMILES

CCCCCCCCCN1C=NC2=C1C(=NC(=N2)SC(=S)NC)NC

InChI

InChI=1S/C17H28N6S2/c1-4-5-6-7-8-9-10-11-23-12-20-15-13(23)14(18-2)21-16(22-15)25-17(24)19-3/h12H,4-11H2,1-3H3,(H,19,24)(H,18,21,22)