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ethyl 4-[3-[1-(2-dimethylaminoethyl)-6-oxidanylidene-purin-9-yl]propanoylamino]benzoate

ethyl 4-[3-[1-(2-dimethylaminoethyl)-6-oxidanylidene-purin-9-yl]propanoylamino]benzoate

Systemtic Name:ethyl 4-[3-[1-(2-dimethylaminoethyl)-6-oxidanylidene-purin-9-yl]propanoylamino]benzoate
Openeye Name:ethyl 4-[3-[1-(2-dimethylaminoethyl)-6-oxo-purin-9-yl]propanoylamino]benzoate
CAS Name:4-[[3-[1-(2-dimethylaminoethyl)-6-oxo-9-purinyl]-1-oxopropyl]amino]benzoic acid ethyl ester
IUPAC Name:ethyl 4-[3-[1-(2-dimethylaminoethyl)-6-oxopurin-9-yl]propanoylamino]benzoate
Traditional Name:4-[3-[1-(2-dimethylaminoethyl)-6-keto-purin-9-yl]propanoylamino]benzoic acid ethyl ester
Formula: C21H26N6O4
MolecularWeight: 426.46894
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=CN(C3=O)CCN(C)C


Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=CN(C3=O)CCN(C)C


InChI

InChI=1S/C21H26N6O4/c1-4-31-21(30)15-5-7-16(8-6-15)24-17(28)9-10-26-13-22-18-19(26)23-14-27(20(18)29)12-11-25(2)3/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,28)


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