8-(1,3-benzodioxol-5-ylsulfanyl)-3-(3-pyrrol-1-ylpropyl)purin-6-amine

Systemtic Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-3-(3-pyrrol-1-ylpropyl)purin-6-amine Openeye Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-3-(3-pyrrol-1-ylpropyl)purin-6-amine CAS Name: 8-(1,3-benzodioxol-5-ylthio)-3-[3-(1-pyrrolyl)propyl]-6-purinamine IUPAC Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-3-(3-pyrrol-1-ylpropyl)purin-6-amine Traditional Name: [8-(1,3-benzodioxol-5-ylthio)-3-(3-pyrrol-1-ylpropyl)purin-6-yl]amine Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)SC3=NC4=C(N=CN(C4=N3)CCCN5C=CC=C5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)SC3=NC4=C(N=CN(C4=N3)CCCN5C=CC=C5)N

InChI

InChI=1S/C19H18N6O2S/c20-17-16-18(25(11-21-17)9-3-8-24-6-1-2-7-24)23-19(22-16)28-13-4-5-14-15(10-13)27-12-26-14/h1-2,4-7,10-11H,3,8-9,12,20H2