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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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