8-[(3-aminophenyl)methyl]-1-pentyl-3-phenethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(3-aminophenyl)methyl]-1-pentyl-3-phenethyl-7H-purine-2,6-dione Openeye Name: 8-[(3-aminophenyl)methyl]-1-pentyl-3-phenethyl-7H-purine-2,6-dione CAS Name: 8-[(3-aminophenyl)methyl]-1-pentyl-3-phenethyl-7H-purine-2,6-dione IUPAC Name: 8-[(3-aminophenyl)methyl]-1-pentyl-3-phenethyl-7H-purine-2,6-dione Traditional Name: 8-(3-aminobenzyl)-1-amyl-3-phenethyl-7H-purine-2,6-quinone Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC(=CC=C3)N)N(C1=O)CCC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC(=CC=C3)N)N(C1=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-2-3-7-14-30-24(31)22-23(28-21(27-22)17-19-11-8-12-20(26)16-19)29(25(30)32)15-13-18-9-5-4-6-10-18/h4-6,8-12,16H,2-3,7,13-15,17,26H2,1H3,(H,27,28)