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

Systemtic Name: [6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propylsulfanyl-purin-2-yl] ethanoate Openeye Name: [6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propylsulfanyl-purin-2-yl] acetate CAS Name: acetic acid [6-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(propylthio)-2-purinyl] ester IUPAC Name: [6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propylsulfanylpurin-2-yl] acetate Traditional Name: acetic acid [6-[4-(2-methoxyphenyl)piperazino]-3-(propylthio)purin-2-yl] ester Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=NC=NC2=C(N=C1OC(=O)C)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCCSN1C2=NC=NC2=C(N=C1OC(=O)C)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H26N6O3S/c1-4-13-31-27-19-18(22-14-23-19)20(24-21(27)30-15(2)28)26-11-9-25(10-12-26)16-7-5-6-8-17(16)29-3/h5-8,14H,4,9-13H2,1-3H3