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

Systemtic Name: 9-methyl-2-pentyl-N,N-bis(phenylmethyl)-8-(1,2,3-triazol-1-yl)purin-6-amine Openeye Name: N,N-dibenzyl-9-methyl-2-pentyl-8-(triazol-1-yl)purin-6-amine CAS Name: 9-methyl-2-pentyl-N,N-bis(phenylmethyl)-8-(1-triazolyl)-6-purinamine IUPAC Name: N,N-dibenzyl-9-methyl-2-pentyl-8-(triazol-1-yl)purin-6-amine Traditional Name: [2-amyl-9-methyl-8-(triazol-1-yl)purin-6-yl]-dibenzyl-amine Formula: C27H30N8 MolecularWeight: 466.5807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(C(=N1)N(CC3=CC=CC=C3)CC4=CC=CC=C4)N=C(N2C)N5C=CN=N5

Isomeric SMILES

CCCCCC1=NC2=C(C(=N1)N(CC3=CC=CC=C3)CC4=CC=CC=C4)N=C(N2C)N5C=CN=N5

InChI

InChI=1S/C27H30N8/c1-3-4-7-16-23-29-25-24(31-27(33(25)2)35-18-17-28-32-35)26(30-23)34(19-21-12-8-5-9-13-21)20-22-14-10-6-11-15-22/h5-6,8-15,17-18H,3-4,7,16,19-20H2,1-2H3