N-(3-methylbut-3-enyl)-2-(phenylmethylsulfanyl)-7H-purin-6-amine

Systemtic Name: N-(3-methylbut-3-enyl)-2-(phenylmethylsulfanyl)-7H-purin-6-amine Openeye Name: 2-benzylsulfanyl-N-(3-methylbut-3-enyl)-7H-purin-6-amine CAS Name: N-(3-methylbut-3-enyl)-2-(phenylmethylthio)-7H-purin-6-amine IUPAC Name: 2-benzylsulfanyl-N-(3-methylbut-3-enyl)-7H-purin-6-amine Traditional Name: [2-(benzylthio)-7H-purin-6-yl]-(3-methylbut-3-enyl)amine Formula: C17H19N5S MolecularWeight: 325.43126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCNC1=NC(=NC2=C1NC=N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(=C)CCNC1=NC(=NC2=C1NC=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H19N5S/c1-12(2)8-9-18-15-14-16(20-11-19-14)22-17(21-15)23-10-13-6-4-3-5-7-13/h3-7,11H,1,8-10H2,2H3,(H2,18,19,20,21,22)