2-butyl-9-methyl-N,N-bis(phenylmethyl)-8-(1,2,3-triazol-1-yl)purin-6-amine

Systemtic Name: 2-butyl-9-methyl-N,N-bis(phenylmethyl)-8-(1,2,3-triazol-1-yl)purin-6-amine Openeye Name: N,N-dibenzyl-2-butyl-9-methyl-8-(triazol-1-yl)purin-6-amine CAS Name: 2-butyl-9-methyl-N,N-bis(phenylmethyl)-8-(1-triazolyl)-6-purinamine IUPAC Name: N,N-dibenzyl-2-butyl-9-methyl-8-(triazol-1-yl)purin-6-amine Traditional Name: dibenzyl-[2-butyl-9-methyl-8-(triazol-1-yl)purin-6-yl]amine Formula: C26H28N8 MolecularWeight: 452.55412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)N(CC3=CC=CC=C3)CC4=CC=CC=C4)N=C(N2C)N5C=CN=N5

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)N(CC3=CC=CC=C3)CC4=CC=CC=C4)N=C(N2C)N5C=CN=N5

InChI

InChI=1S/C26H28N8/c1-3-4-15-22-28-24-23(30-26(32(24)2)34-17-16-27-31-34)25(29-22)33(18-20-11-7-5-8-12-20)19-21-13-9-6-10-14-21/h5-14,16-17H,3-4,15,18-19H2,1-2H3