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

Systemtic Name: 3-[2-(4-azanyl-3-chloranyl-phenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-amino-3-chloro-phenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-amino-3-chlorophenyl)ethyl]-1-propyl-8-(4-pyridazinylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-amino-3-chlorophenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-amino-3-chloro-phenyl)ethyl]-1-propyl-8-(pyridazin-4-ylmethyl)-7H-purine-2,6-quinone Formula: C21H22ClN7O2 MolecularWeight: 439.89808

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN7O2/c1-2-8-29-20(30)18-19(27-17(26-18)11-14-5-7-24-25-12-14)28(21(29)31)9-6-13-3-4-16(23)15(22)10-13/h3-5,7,10,12H,2,6,8-9,11,23H2,1H3,(H,26,27)