2-methoxy-3-[6-(4-methoxyphenyl)sulfanyl-7H-purin-8-yl]phosphiran-1-ium 1-oxide

Systemtic Name: 2-methoxy-3-[6-(4-methoxyphenyl)sulfanyl-7H-purin-8-yl]phosphiran-1-ium 1-oxide Openeye Name: 2-methoxy-3-[6-(4-methoxyphenyl)sulfanyl-7H-purin-8-yl]phosphiran-1-ium 1-oxide CAS Name: 2-methoxy-3-[6-[(4-methoxyphenyl)thio]-7H-purin-8-yl]phosphiran-1-ium 1-oxide IUPAC Name: 2-methoxy-3-[6-(4-methoxyphenyl)sulfanyl-7H-purin-8-yl]phosphiran-1-ium 1-oxide Traditional Name: 2-methoxy-3-[6-[(4-methoxyphenyl)thio]-7H-purin-8-yl]phosphiran-1-ium 1-oxide Formula: C15H14N4O3PS+ MolecularWeight: 361.335421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C([P+]1=O)C2=NC3=C(N2)C(=NC=N3)SC4=CC=C(C=C4)OC

Isomeric SMILES

COC1C([P+]1=O)C2=NC3=C(N2)C(=NC=N3)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C15H14N4O3PS/c1-21-8-3-5-9(6-4-8)24-14-10-12(16-7-17-14)19-13(18-10)11-15(22-2)23(11)20/h3-7,11,15H,1-2H3,(H,16,17,18,19)/q+1