N2-[4-(1-benzothiophen-2-yl)phenyl]-N6-tert-butyl-7H-purine-2,6-diamine

Systemtic Name: N2-[4-(1-benzothiophen-2-yl)phenyl]-N6-tert-butyl-7H-purine-2,6-diamine Openeye Name: N2-[4-(benzothiophen-2-yl)phenyl]-N6-tert-butyl-7H-purine-2,6-diamine CAS Name: N2-[4-(1-benzothiophen-2-yl)phenyl]-N6-tert-butyl-7H-purine-2,6-diamine IUPAC Name: 2-N-[4-(1-benzothiophen-2-yl)phenyl]-6-N-tert-butyl-7H-purine-2,6-diamine Traditional Name: [2-[4-(benzothiophen-2-yl)anilino]-7H-purin-6-yl]-tert-butyl-amine Formula: C23H22N6S MolecularWeight: 414.52598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC2=C1NC=N2)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)NC1=NC(=NC2=C1NC=N2)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N6S/c1-23(2,3)29-21-19-20(25-13-24-19)27-22(28-21)26-16-10-8-14(9-11-16)18-12-15-6-4-5-7-17(15)30-18/h4-13H,1-3H3,(H3,24,25,26,27,28,29)