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

Systemtic Name: 3-[2-(2-aminophenyl)ethyl]-1-(3-methoxypropyl)-8-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(2-aminophenyl)ethyl]-8-benzyl-1-(3-methoxypropyl)-7H-purine-2,6-dione CAS Name: 3-[2-(2-aminophenyl)ethyl]-1-(3-methoxypropyl)-8-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(2-aminophenyl)ethyl]-8-benzyl-1-(3-methoxypropyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(2-aminophenyl)ethyl]-8-benzyl-1-(3-methoxypropyl)-7H-purine-2,6-quinone Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=CC=C4N

Isomeric SMILES

COCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=CC=C4N

InChI

InChI=1S/C24H27N5O3/c1-32-15-7-13-29-23(30)21-22(27-20(26-21)16-17-8-3-2-4-9-17)28(24(29)31)14-12-18-10-5-6-11-19(18)25/h2-6,8-11H,7,12-16,25H2,1H3,(H,26,27)