1,3-dipropyl-8-(4-sulfanylidenecyclohexa-2,5-dien-1-ylidene)-7,9-dihydropurine-2,6-dione

Systemtic Name: 1,3-dipropyl-8-(4-sulfanylidenecyclohexa-2,5-dien-1-ylidene)-7,9-dihydropurine-2,6-dione Openeye Name: 1,3-dipropyl-8-(4-thioxocyclohexa-2,5-dien-1-ylidene)-7,9-dihydropurine-2,6-dione CAS Name: 1,3-dipropyl-8-(4-sulfanylidene-1-cyclohexa-2,5-dienylidene)-7,9-dihydropurine-2,6-dione IUPAC Name: 1,3-dipropyl-8-(4-sulfanylidenecyclohexa-2,5-dien-1-ylidene)-7,9-dihydropurine-2,6-dione Traditional Name: 1,3-dipropyl-8-(4-thioxocyclohexa-2,5-dien-1-ylidene)-7,9-dihydropurine-2,6-quinone Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=C3C=CC(=S)C=C3)N2

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=C3C=CC(=S)C=C3)N2

InChI

InChI=1S/C17H20N4O2S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(24)8-6-11/h5-8,18-19H,3-4,9-10H2,1-2H3