9-(2-methylpropyl)-6-(3-phenylpropylsulfanyl)purin-2-amine

Systemtic Name: 9-(2-methylpropyl)-6-(3-phenylpropylsulfanyl)purin-2-amine Openeye Name: 9-isobutyl-6-(3-phenylpropylsulfanyl)purin-2-amine CAS Name: 9-(2-methylpropyl)-6-(3-phenylpropylthio)-2-purinamine IUPAC Name: 9-(2-methylpropyl)-6-(3-phenylpropylsulfanyl)purin-2-amine Traditional Name: [9-isobutyl-6-(3-phenylpropylthio)purin-2-yl]amine Formula: C18H23N5S MolecularWeight: 341.47372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1N=C(N=C2SCCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CN1C=NC2=C1N=C(N=C2SCCCC3=CC=CC=C3)N

InChI

InChI=1S/C18H23N5S/c1-13(2)11-23-12-20-15-16(23)21-18(19)22-17(15)24-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H2,19,21,22)