[2-(7H-purin-6-ylsulfanyl)phenyl] prop-2-enoate

Systemtic Name: [2-(7H-purin-6-ylsulfanyl)phenyl] prop-2-enoate Openeye Name: [2-(7H-purin-6-ylsulfanyl)phenyl] prop-2-enoate CAS Name: 2-propenoic acid [2-(7H-purin-6-ylthio)phenyl] ester IUPAC Name: [2-(7H-purin-6-ylsulfanyl)phenyl] prop-2-enoate Traditional Name: acrylic acid [2-(7H-purin-6-ylthio)phenyl] ester Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC1=CC=CC=C1SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C=CC(=O)OC1=CC=CC=C1SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H10N4O2S/c1-2-11(19)20-9-5-3-4-6-10(9)21-14-12-13(16-7-15-12)17-8-18-14/h2-8H,1H2,(H,15,16,17,18)