N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: 2-(7H-purin-6-ylthio)-N-[(E)-veratrylideneamino]acetamide Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC=NC3=C2NC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NC=NC3=C2NC=N3)OC

InChI

InChI=1S/C16H16N6O3S/c1-24-11-4-3-10(5-12(11)25-2)6-21-22-13(23)7-26-16-14-15(18-8-17-14)19-9-20-16/h3-6,8-9H,7H2,1-2H3,(H,22,23)(H,17,18,19,20)/b21-6+