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

Systemtic Name: N2-(3-phenylpropyl)-9-propyl-8-thiophen-2-yl-purine-2,6-diamine Openeye Name: N2-(3-phenylpropyl)-9-propyl-8-(2-thienyl)purine-2,6-diamine CAS Name: N2-(3-phenylpropyl)-9-propyl-8-thiophen-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(3-phenylpropyl)-9-propyl-8-thiophen-2-ylpurine-2,6-diamine Traditional Name: [6-amino-9-propyl-8-(2-thienyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C21H24N6S MolecularWeight: 392.52046

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CS4

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1C4=CC=CS4

InChI

InChI=1S/C21H24N6S/c1-2-13-27-19(16-11-7-14-28-16)24-17-18(22)25-21(26-20(17)27)23-12-6-10-15-8-4-3-5-9-15/h3-5,7-9,11,14H,2,6,10,12-13H2,1H3,(H3,22,23,25,26)