3-methyl-7-(3-phenylpropyl)-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-phenylpropyl)-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 3-methyl-7-(3-phenylpropyl)-8-thioxo-9H-purine-2,6-dione CAS Name: 3-methyl-7-(3-phenylpropyl)-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 3-methyl-7-(3-phenylpropyl)-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 3-methyl-7-(3-phenylpropyl)-8-thioxo-9H-purine-2,6-quinone Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C15H16N4O2S/c1-18-12-11(13(20)17-14(18)21)19(15(22)16-12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,16,22)(H,17,20,21)