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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)N

InChI

InChI=1S/C23H25N5O2/c1-2-13-28-22(29)20-21(26-19(25-20)15-17-6-4-3-5-7-17)27(23(28)30)14-12-16-8-10-18(24)11-9-16/h3-11H,2,12-15,24H2,1H3,(H,25,26)