1,3-bis(prop-2-enyl)-8-(4-sulfonylcyclohexa-1,5-dien-1-yl)-7H-purine-2,6-dione

Systemtic Name: 1,3-bis(prop-2-enyl)-8-(4-sulfonylcyclohexa-1,5-dien-1-yl)-7H-purine-2,6-dione Openeye Name: 1,3-diallyl-8-(4-sulfonylcyclohexa-1,5-dien-1-yl)-7H-purine-2,6-dione CAS Name: 1,3-bis(prop-2-enyl)-8-(4-sulfonyl-1-cyclohexa-1,5-dienyl)-7H-purine-2,6-dione IUPAC Name: 1,3-bis(prop-2-enyl)-8-(4-sulfonylcyclohexa-1,5-dien-1-yl)-7H-purine-2,6-dione Traditional Name: 1,3-diallyl-8-(4-sulfonylcyclohexa-1,5-dien-1-yl)-7H-purine-2,6-quinone Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=O)N(C1=O)CC=C)NC(=N2)C3=CCC(=S(=O)=O)C=C3

Isomeric SMILES

C=CCN1C2=C(C(=O)N(C1=O)CC=C)NC(=N2)C3=CCC(=S(=O)=O)C=C3

InChI

InChI=1S/C17H16N4O4S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)26(24)25/h3-7H,1-2,8-10H2,(H,18,19)