S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] pyridine-3-carbothioate

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] pyridine-3-carbothioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)C3=CN=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)C3=CN=CC=C3

InChI

InChI=1S/C14H13N5O3S/c1-17-11-10(12(20)18(2)14(17)22)19(7-16-11)8-23-13(21)9-4-3-5-15-6-9/h3-7H,8H2,1-2H3