2-[(3,4-dichlorophenyl)methylamino]-7-(5-ethoxypentyl)-3H-purin-6-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-ethoxypentyl)-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-ethoxypentyl)-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-ethoxypentyl)-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-ethoxypentyl)-3H-purin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-7-(5-ethoxypentyl)-3H-purin-6-one Formula: C19H23Cl2N5O2 MolecularWeight: 424.32422

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H23Cl2N5O2/c1-2-28-9-5-3-4-8-26-12-23-17-16(26)18(27)25-19(24-17)22-11-13-6-7-14(20)15(21)10-13/h6-7,10,12H,2-5,8-9,11H2,1H3,(H2,22,24,25,27)