2-ethyl-9-(phenylmethyl)-8-sulfanylidene-3,7-dihydropurin-6-one

Systemtic Name: 2-ethyl-9-(phenylmethyl)-8-sulfanylidene-3,7-dihydropurin-6-one Openeye Name: 9-benzyl-2-ethyl-8-thioxo-3,7-dihydropurin-6-one CAS Name: 2-ethyl-9-(phenylmethyl)-8-sulfanylidene-3,7-dihydropurin-6-one IUPAC Name: 9-benzyl-2-ethyl-8-sulfanylidene-3,7-dihydropurin-6-one Traditional Name: 9-benzyl-2-ethyl-8-thioxo-3,7-dihydropurin-6-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N(C(=S)N2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N(C(=S)N2)CC3=CC=CC=C3

InChI

InChI=1S/C14H14N4OS/c1-2-10-15-12-11(13(19)16-10)17-14(20)18(12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,17,20)(H,15,16,19)