3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl N,N-diethylcarbamodithioate

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl N,N-diethylcarbamodithioate Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propyl ester IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propyl ester Formula: C15H23N5O2S2 MolecularWeight: 369.50542

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C(=S)SCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H23N5O2S2/c1-5-19(6-2)15(23)24-9-7-8-20-10-16-12-11(20)13(21)18(4)14(22)17(12)3/h10H,5-9H2,1-4H3