methyl 4-[[4-(6-chloranylpurin-9-yl)-2-oxidanylidene-butyl]amino]benzoate

Systemtic Name: methyl 4-[[4-(6-chloranylpurin-9-yl)-2-oxidanylidene-butyl]amino]benzoate Openeye Name: methyl 4-[[4-(6-chloropurin-9-yl)-2-oxo-butyl]amino]benzoate CAS Name: 4-[[4-(6-chloro-9-purinyl)-2-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(6-chloropurin-9-yl)-2-oxobutyl]amino]benzoate Traditional Name: 4-[[4-(6-chloropurin-9-yl)-2-keto-butyl]amino]benzoic acid methyl ester Formula: C17H16ClN5O3 MolecularWeight: 373.79364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC(=O)CCN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC(=O)CCN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C17H16ClN5O3/c1-26-17(25)11-2-4-12(5-3-11)19-8-13(24)6-7-23-10-22-14-15(18)20-9-21-16(14)23/h2-5,9-10,19H,6-8H2,1H3