methyl 4-(2-azanyl-6-chloranyl-purin-9-yl)cyclohexene-1-carboxylate

Systemtic Name: methyl 4-(2-azanyl-6-chloranyl-purin-9-yl)cyclohexene-1-carboxylate Openeye Name: methyl 4-(2-amino-6-chloro-purin-9-yl)cyclohexene-1-carboxylate CAS Name: 4-(2-amino-6-chloro-9-purinyl)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-6-chloropurin-9-yl)cyclohexene-1-carboxylate Traditional Name: 4-(2-amino-6-chloro-purin-9-yl)cyclohexene-1-carboxylic acid methyl ester Formula: C13H14ClN5O2 MolecularWeight: 307.73556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCC(CC1)N2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

COC(=O)C1=CCC(CC1)N2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C13H14ClN5O2/c1-21-12(20)7-2-4-8(5-3-7)19-6-16-9-10(14)17-13(15)18-11(9)19/h2,6,8H,3-5H2,1H3,(H2,15,17,18)