4-[2-[(3,4-dichlorophenyl)methylamino]-6-oxidanylidene-3H-purin-7-yl]butyl ethanoate

Systemtic Name: 4-[2-[(3,4-dichlorophenyl)methylamino]-6-oxidanylidene-3H-purin-7-yl]butyl ethanoate Openeye Name: 4-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]butyl acetate CAS Name: acetic acid 4-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]butyl ester IUPAC Name: 4-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-7-yl]butyl acetate Traditional Name: acetic acid 4-[2-[(3,4-dichlorobenzyl)amino]-6-keto-3H-purin-7-yl]butyl ester Formula: C18H19Cl2N5O3 MolecularWeight: 424.28116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)OCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N5O3/c1-11(26)28-7-3-2-6-25-10-22-16-15(25)17(27)24-18(23-16)21-9-12-4-5-13(19)14(20)8-12/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,21,23,24,27)