3-[2-(3-aminophenyl)ethyl]-1-butyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(3-aminophenyl)ethyl]-1-butyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(3-aminophenyl)ethyl]-1-butyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(3-aminophenyl)ethyl]-1-butyl-8-(4-pyridazinylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(3-aminophenyl)ethyl]-1-butyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(3-aminophenyl)ethyl]-1-butyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-quinone Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2)CC3=CN=NC=C3)N(C1=O)CCC4=CC(=CC=C4)N

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2)CC3=CN=NC=C3)N(C1=O)CCC4=CC(=CC=C4)N

InChI

InChI=1S/C22H25N7O2/c1-2-3-10-29-21(30)19-20(27-18(26-19)13-16-7-9-24-25-14-16)28(22(29)31)11-8-15-5-4-6-17(23)12-15/h4-7,9,12,14H,2-3,8,10-11,13,23H2,1H3,(H,26,27)