N-[9-[(3S)-4-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(2-bromoethyloxy)-2,2-bis(methylsulfanyl)butyl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(3S)-4-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(2-bromoethyloxy)-2,2-bis(methylsulfanyl)butyl]purin-6-yl]benzamide Openeye Name: N-[9-[(3S)-4-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(2-bromoethoxy)-2,2-bis(methylsulfanyl)butyl]purin-6-yl]benzamide CAS Name: N-[9-[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(2-bromoethoxy)-2,2-bis(methylthio)butyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(2-bromoethoxy)-2,2-bis(methylsulfanyl)butyl]purin-6-yl]benzamide Traditional Name: N-[9-[(3S)-4-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(2-bromoethoxy)-2,2-bis(methylthio)butyl]purin-6-yl]benzamide Formula: C41H42BrN5O5S2 MolecularWeight: 828.83668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC(C(CN4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6)(SC)SC)OCCBr

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H](C(CN4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6)(SC)SC)OCCBr

InChI

InChI=1S/C41H42BrN5O5S2/c1-49-33-19-15-31(16-20-33)41(30-13-9-6-10-14-30,32-17-21-34(50-2)22-18-32)52-25-35(51-24-23-42)40(53-3,54-4)26-47-28-45-36-37(43-27-44-38(36)47)46-39(48)29-11-7-5-8-12-29/h5-22,27-28,35H,23-26H2,1-4H3,(H,43,44,46,48)/t35-/m0/s1