1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol

Systemtic Name: 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Openeye Name: 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol CAS Name: 1-[4-[bis(4-methoxyphenyl)methyl]-1-piperazinyl]-3-(7H-purin-6-ylthio)-2-propanol IUPAC Name: 1-[4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Traditional Name: 1-[4-[bis(4-methoxyphenyl)methyl]piperazino]-3-(7H-purin-6-ylthio)propan-2-ol Formula: C27H32N6O3S MolecularWeight: 520.64638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3CCN(CC3)CC(CSC4=NC=NC5=C4NC=N5)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3CCN(CC3)CC(CSC4=NC=NC5=C4NC=N5)O

InChI

InChI=1S/C27H32N6O3S/c1-35-22-7-3-19(4-8-22)25(20-5-9-23(36-2)10-6-20)33-13-11-32(12-14-33)15-21(34)16-37-27-24-26(29-17-28-24)30-18-31-27/h3-10,17-18,21,25,34H,11-16H2,1-2H3,(H,28,29,30,31)