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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)CCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N5O3/c1-2-28-14(26)4-3-7-25-10-22-16-15(25)17(27)24-18(23-16)21-9-11-5-6-12(19)13(20)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H2,21,23,24,27)