9-methyl-N2-(3-phenylpropyl)-8-thiophen-2-yl-purine-2,6-diamine

Systemtic Name: 9-methyl-N2-(3-phenylpropyl)-8-thiophen-2-yl-purine-2,6-diamine Openeye Name: 9-methyl-N2-(3-phenylpropyl)-8-(2-thienyl)purine-2,6-diamine CAS Name: 9-methyl-N2-(3-phenylpropyl)-8-thiophen-2-ylpurine-2,6-diamine IUPAC Name: 9-methyl-2-N-(3-phenylpropyl)-8-thiophen-2-ylpurine-2,6-diamine Traditional Name: [6-amino-9-methyl-8-(2-thienyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C19H20N6S MolecularWeight: 364.4673

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CS4

InChI

InChI=1S/C19H20N6S/c1-25-17(14-10-6-12-26-14)22-15-16(20)23-19(24-18(15)25)21-11-5-9-13-7-3-2-4-8-13/h2-4,6-8,10,12H,5,9,11H2,1H3,(H3,20,21,23,24)