3-[2-(3-aminophenyl)ethyl]-1-butyl-8-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(3-aminophenyl)ethyl]-1-butyl-8-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(3-aminophenyl)ethyl]-8-benzyl-1-butyl-7H-purine-2,6-dione CAS Name: 3-[2-(3-aminophenyl)ethyl]-1-butyl-8-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(3-aminophenyl)ethyl]-8-benzyl-1-butyl-7H-purine-2,6-dione Traditional Name: 3-[2-(3-aminophenyl)ethyl]-8-benzyl-1-butyl-7H-purine-2,6-quinone Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC(=CC=C4)N

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC(=CC=C4)N

InChI

InChI=1S/C24H27N5O2/c1-2-3-13-29-23(30)21-22(27-20(26-21)16-17-8-5-4-6-9-17)28(24(29)31)14-12-18-10-7-11-19(25)15-18/h4-11,15H,2-3,12-14,16,25H2,1H3,(H,26,27)