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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-morpholin-4-ylbutyl)-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-morpholinobutyl)-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-7-[4-(4-morpholinyl)butyl]-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-morpholin-4-ylbutyl)-3H-purin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-7-(4-morpholinobutyl)-3H-purin-6-one Formula: C20H24Cl2N6O2 MolecularWeight: 451.34956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCN2C=NC3=C2C(=O)N=C(N3)NCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1COCCN1CCCCN2C=NC3=C2C(=O)N=C(N3)NCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H24Cl2N6O2/c21-15-4-3-14(11-16(15)22)12-23-20-25-18-17(19(29)26-20)28(13-24-18)6-2-1-5-27-7-9-30-10-8-27/h3-4,11,13H,1-2,5-10,12H2,(H2,23,25,26,29)