methyl 4-[3-(6-chloranyl-3,6-dihydropurin-9-yl)propanoyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[3-(6-chloranyl-3,6-dihydropurin-9-yl)propanoyl-methyl-amino]benzoate Openeye Name: methyl 4-[3-(6-chloro-3,6-dihydropurin-9-yl)propanoyl-methyl-amino]benzoate CAS Name: 4-[[3-(6-chloro-3,6-dihydropurin-9-yl)-1-oxopropyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(6-chloro-3,6-dihydropurin-9-yl)propanoyl-methylamino]benzoate Traditional Name: 4-[3-(6-chloro-3,6-dihydropurin-9-yl)propanoyl-methyl-amino]benzoic acid methyl ester Formula: C17H18ClN5O3 MolecularWeight: 375.80952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)OC)C(=O)CCN2C=NC3=C2NC=NC3Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)OC)C(=O)CCN2C=NC3=C2NC=NC3Cl

InChI

InChI=1S/C17H18ClN5O3/c1-22(12-5-3-11(4-6-12)17(25)26-2)13(24)7-8-23-10-21-14-15(18)19-9-20-16(14)23/h3-6,9-10,15H,7-8H2,1-2H3,(H,19,20)