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

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(4-pyridazinylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-quinone Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O2/c1-2-10-28-20(29)18-19(26-17(25-18)12-15-7-9-23-24-13-15)27(21(28)30)11-8-14-3-5-16(22)6-4-14/h3-7,9,13H,2,8,10-12,22H2,1H3,(H,25,26)