3-propylsulfanyl-6-[4-(triphenylmethyl)piperazin-1-yl]-7H-purin-2-one

Systemtic Name: 3-propylsulfanyl-6-[4-(triphenylmethyl)piperazin-1-yl]-7H-purin-2-one Openeye Name: 3-propylsulfanyl-6-(4-tritylpiperazin-1-yl)-7H-purin-2-one CAS Name: 3-(propylthio)-6-[4-(triphenylmethyl)-1-piperazinyl]-7H-purin-2-one IUPAC Name: 3-propylsulfanyl-6-(4-tritylpiperazin-1-yl)-7H-purin-2-one Traditional Name: 3-(propylthio)-6-(4-tritylpiperazino)-7H-purin-2-one Formula: C31H32N6OS MolecularWeight: 536.69038

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=C(C(=NC1=O)N3CCN(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC=N2

Isomeric SMILES

CCCSN1C2=C(C(=NC1=O)N3CCN(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC=N2

InChI

InChI=1S/C31H32N6OS/c1-2-22-39-37-28-27(32-23-33-28)29(34-30(37)38)35-18-20-36(21-19-35)31(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,23H,2,18-22H2,1H3,(H,32,33)