[6-[4-(phenylmethyl)piperazin-1-yl]-3-propylsulfanyl-purin-2-yl] ethanoate

Systemtic Name: [6-[4-(phenylmethyl)piperazin-1-yl]-3-propylsulfanyl-purin-2-yl] ethanoate Openeye Name: [6-(4-benzylpiperazin-1-yl)-3-propylsulfanyl-purin-2-yl] acetate CAS Name: acetic acid [6-[4-(phenylmethyl)-1-piperazinyl]-3-(propylthio)-2-purinyl] ester IUPAC Name: [6-(4-benzylpiperazin-1-yl)-3-propylsulfanylpurin-2-yl] acetate Traditional Name: acetic acid [6-(4-benzylpiperazino)-3-(propylthio)purin-2-yl] ester Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=NC=NC2=C(N=C1OC(=O)C)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCSN1C2=NC=NC2=C(N=C1OC(=O)C)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N6O2S/c1-3-13-30-27-19-18(22-15-23-19)20(24-21(27)29-16(2)28)26-11-9-25(10-12-26)14-17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3