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

Systemtic Name: 2-(diethoxymethyl)-9-(phenylmethyl)-8-sulfanylidene-3,7-dihydropurin-6-one Openeye Name: 9-benzyl-2-(diethoxymethyl)-8-thioxo-3,7-dihydropurin-6-one CAS Name: 2-(diethoxymethyl)-9-(phenylmethyl)-8-sulfanylidene-3,7-dihydropurin-6-one IUPAC Name: 9-benzyl-2-(diethoxymethyl)-8-sulfanylidene-3,7-dihydropurin-6-one Traditional Name: 9-benzyl-2-(diethoxymethyl)-8-thioxo-3,7-dihydropurin-6-one Formula: C17H20N4O3S MolecularWeight: 360.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=NC(=O)C2=C(N1)N(C(=S)N2)CC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC(C1=NC(=O)C2=C(N1)N(C(=S)N2)CC3=CC=CC=C3)OCC

InChI

InChI=1S/C17H20N4O3S/c1-3-23-16(24-4-2)13-19-14-12(15(22)20-13)18-17(25)21(14)10-11-8-6-5-7-9-11/h5-9,16H,3-4,10H2,1-2H3,(H,18,25)(H,19,20,22)