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

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-1-(2-methoxyethyl)-8-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-8-benzyl-1-(2-methoxyethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-1-(2-methoxyethyl)-8-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-8-benzyl-1-(2-methoxyethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-8-benzyl-1-(2-methoxyethyl)-7H-purine-2,6-quinone Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)N

Isomeric SMILES

COCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)N

InChI

InChI=1S/C23H25N5O3/c1-31-14-13-28-22(29)20-21(26-19(25-20)15-17-5-3-2-4-6-17)27(23(28)30)12-11-16-7-9-18(24)10-8-16/h2-10H,11-15,24H2,1H3,(H,25,26)