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

Systemtic Name: 9-(oxan-2-yl)-1,3-diphenyl-2-sulfanylidene-purin-6-one Openeye Name: 1,3-diphenyl-9-tetrahydropyran-2-yl-2-thioxo-purin-6-one CAS Name: 9-(2-oxanyl)-1,3-diphenyl-2-sulfanylidene-6-purinone IUPAC Name: 9-(oxan-2-yl)-1,3-diphenyl-2-sulfanylidenepurin-6-one Traditional Name: 1,3-diphenyl-9-tetrahydropyran-2-yl-2-thioxo-purin-6-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4O2S/c27-21-19-20(24(15-23-19)18-13-7-8-14-28-18)25(16-9-3-1-4-10-16)22(29)26(21)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2