5-[2-[(3,4-dichlorophenyl)methylamino]-6-oxidanylidene-3H-purin-7-yl]pentyl 2-methylpropanoate

Systemtic Name: 5-[2-[(3,4-dichlorophenyl)methylamino]-6-oxidanylidene-3H-purin-7-yl]pentyl 2-methylpropanoate Openeye Name: 5-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]pentyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 5-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]pentyl ester IUPAC Name: 5-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]pentyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 5-[2-[(3,4-dichlorobenzyl)amino]-6-keto-3H-purin-7-yl]pentyl ester Formula: C21H25Cl2N5O3 MolecularWeight: 466.3609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)C(=O)OCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H25Cl2N5O3/c1-13(2)20(30)31-9-5-3-4-8-28-12-25-18-17(28)19(29)27-21(26-18)24-11-14-6-7-15(22)16(23)10-14/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H2,24,26,27,29)