8-[(4-aminophenyl)methyl]-3-butyl-1-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 8-[(4-aminophenyl)methyl]-3-butyl-1-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 8-[(4-aminophenyl)methyl]-1-benzyl-3-butyl-7H-purine-2,6-dione CAS Name: 8-[(4-aminophenyl)methyl]-3-butyl-1-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 8-[(4-aminophenyl)methyl]-1-benzyl-3-butyl-7H-purine-2,6-dione Traditional Name: 8-(4-aminobenzyl)-1-benzyl-3-butyl-7H-purine-2,6-quinone Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)CC4=CC=C(C=C4)N

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)CC4=CC=C(C=C4)N

InChI

InChI=1S/C23H25N5O2/c1-2-3-13-27-21-20(25-19(26-21)14-16-9-11-18(24)12-10-16)22(29)28(23(27)30)15-17-7-5-4-6-8-17/h4-12H,2-3,13-15,24H2,1H3,(H,25,26)