methyl N-[2-azanyl-9-[(3,4-dichlorophenyl)methyl]-6-oxidanylidene-3H-purin-8-yl]carbamate

Systemtic Name: methyl N-[2-azanyl-9-[(3,4-dichlorophenyl)methyl]-6-oxidanylidene-3H-purin-8-yl]carbamate Openeye Name: methyl N-[2-amino-9-[(3,4-dichlorophenyl)methyl]-6-oxo-3H-purin-8-yl]carbamate CAS Name: N-[2-amino-9-[(3,4-dichlorophenyl)methyl]-6-oxo-3H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-[2-amino-9-[(3,4-dichlorophenyl)methyl]-6-oxo-3H-purin-8-yl]carbamate Traditional Name: N-[2-amino-9-(3,4-dichlorobenzyl)-6-keto-3H-purin-8-yl]carbamic acid methyl ester Formula: C14H12Cl2N6O3 MolecularWeight: 383.18948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1CC3=CC(=C(C=C3)Cl)Cl)NC(=NC2=O)N

Isomeric SMILES

COC(=O)NC1=NC2=C(N1CC3=CC(=C(C=C3)Cl)Cl)NC(=NC2=O)N

InChI

InChI=1S/C14H12Cl2N6O3/c1-25-14(24)21-13-18-9-10(19-12(17)20-11(9)23)22(13)5-6-2-3-7(15)8(16)4-6/h2-4H,5H2,1H3,(H,18,21,24)(H3,17,19,20,23)