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

Systemtic Name: methyl N-[2-azanyl-9-[(4-chlorophenyl)methyl]-6-oxidanylidene-3H-purin-8-yl]carbamate Openeye Name: methyl N-[2-amino-9-[(4-chlorophenyl)methyl]-6-oxo-3H-purin-8-yl]carbamate CAS Name: N-[2-amino-9-[(4-chlorophenyl)methyl]-6-oxo-3H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-[2-amino-9-[(4-chlorophenyl)methyl]-6-oxo-3H-purin-8-yl]carbamate Traditional Name: N-[2-amino-9-(4-chlorobenzyl)-6-keto-3H-purin-8-yl]carbamic acid methyl ester Formula: C14H13ClN6O3 MolecularWeight: 348.74442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN6O3/c1-24-14(23)20-13-17-9-10(18-12(16)19-11(9)22)21(13)6-7-2-4-8(15)5-3-7/h2-5H,6H2,1H3,(H,17,20,23)(H3,16,18,19,22)