S-(2-benzamido-5H-purin-6-yl) benzenecarbothioate

Systemtic Name: S-(2-benzamido-5H-purin-6-yl) benzenecarbothioate Openeye Name: S-(2-benzamido-5H-purin-6-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(2-benzamido-5H-purin-6-yl) ester IUPAC Name: S-(2-benzamido-5H-purin-6-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(2-benzamido-5H-purin-6-yl) ester Formula: C19H13N5O2S MolecularWeight: 375.40382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC3=NC=NC3C(=N2)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC3=NC=NC3C(=N2)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H13N5O2S/c25-16(12-7-3-1-4-8-12)23-19-22-15-14(20-11-21-15)17(24-19)27-18(26)13-9-5-2-6-10-13/h1-11,14H,(H,20,21,22,23,25)