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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-propoxypentyl)-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-propoxypentyl)-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-propoxypentyl)-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-propoxypentyl)-3H-purin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-7-(5-propoxypentyl)-3H-purin-6-one Formula: C20H25Cl2N5O2 MolecularWeight: 438.3508

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCOCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H25Cl2N5O2/c1-2-9-29-10-5-3-4-8-27-13-24-18-17(27)19(28)26-20(25-18)23-12-14-6-7-15(21)16(22)11-14/h6-7,11,13H,2-5,8-10,12H2,1H3,(H2,23,25,26,28)