2-[(3,4-dichlorophenyl)methylamino]-7-(4-piperazin-1-ylbutyl)-3H-purin-6-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-piperazin-1-ylbutyl)-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-piperazin-1-ylbutyl)-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-7-[4-(1-piperazinyl)butyl]-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(4-piperazin-1-ylbutyl)-3H-purin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-7-(4-piperazinobutyl)-3H-purin-6-one Formula: C20H25Cl2N7O MolecularWeight: 450.3648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCCN2C=NC3=C2C(=O)N=C(N3)NCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1)CCCCN2C=NC3=C2C(=O)N=C(N3)NCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H25Cl2N7O/c21-15-4-3-14(11-16(15)22)12-24-20-26-18-17(19(30)27-20)29(13-25-18)8-2-1-7-28-9-5-23-6-10-28/h3-4,11,13,23H,1-2,5-10,12H2,(H2,24,26,27,30)