9-(oxolan-2-yl)-1,3-diphenyl-2-sulfanylidene-purin-6-one

Systemtic Name: 9-(oxolan-2-yl)-1,3-diphenyl-2-sulfanylidene-purin-6-one Openeye Name: 1,3-diphenyl-9-tetrahydrofuran-2-yl-2-thioxo-purin-6-one CAS Name: 9-(2-oxolanyl)-1,3-diphenyl-2-sulfanylidene-6-purinone IUPAC Name: 9-(oxolan-2-yl)-1,3-diphenyl-2-sulfanylidenepurin-6-one Traditional Name: 1,3-diphenyl-9-(tetrahydrofuryl)-2-thioxo-purin-6-one Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)N2C=NC3=C2N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)N2C=NC3=C2N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H18N4O2S/c26-20-18-19(23(14-22-18)17-12-7-13-27-17)24(15-8-3-1-4-9-15)21(28)25(20)16-10-5-2-6-11-16/h1-6,8-11,14,17H,7,12-13H2