dimethyl 2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]butanedioate

Systemtic Name: dimethyl 2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]butanedioate Openeye Name: dimethyl 2-[(2-amino-6-chloro-purin-9-yl)methyl]butanedioate CAS Name: 2-[(2-amino-6-chloro-9-purinyl)methyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-amino-6-chloropurin-9-yl)methyl]butanedioate Traditional Name: 2-[(2-amino-6-chloro-purin-9-yl)methyl]succinic acid dimethyl ester Formula: C12H14ClN5O4 MolecularWeight: 327.72366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CN1C=NC2=C1N=C(N=C2Cl)N)C(=O)OC

Isomeric SMILES

COC(=O)CC(CN1C=NC2=C1N=C(N=C2Cl)N)C(=O)OC

InChI

InChI=1S/C12H14ClN5O4/c1-21-7(19)3-6(11(20)22-2)4-18-5-15-8-9(13)16-12(14)17-10(8)18/h5-6H,3-4H2,1-2H3,(H2,14,16,17)