1-[5-(6-azanyl-2-sulfanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-methyl-butan-2-one

Systemtic Name: 1-[5-(6-azanyl-2-sulfanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-methyl-butan-2-one Openeye Name: 1-[5-(6-amino-2-thioxo-1H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-methyl-butan-2-one CAS Name: 1-[5-(6-amino-2-sulfanylidene-1H-purin-9-yl)-3-hydroxy-2-oxolanyl]-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methyl-2-butanone IUPAC Name: 1-[5-(6-amino-2-sulfanylidene-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methylbutan-2-one Traditional Name: 1-[5-(6-amino-2-thioxo-1H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-methyl-butan-2-one Formula: C35H37N5O6S MolecularWeight: 655.76318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C1C(CC(O1)N2C=NC3=C(NC(=S)N=C32)N)O)OC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

Isomeric SMILES

CC(C)C(=O)C(C1C(CC(O1)N2C=NC3=C(NC(=S)N=C32)N)O)OC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

InChI

InChI=1S/C35H37N5O6S/c1-20(2)29(42)31(30-26(41)18-27(45-30)40-19-37-28-32(36)38-34(47)39-33(28)40)46-35(21-8-6-5-7-9-21,22-10-14-24(43-3)15-11-22)23-12-16-25(44-4)17-13-23/h5-17,19-20,26-27,30-31,41H,18H2,1-4H3,(H3,36,38,39,47)