2-diethylaminoethyl 4-[(2-azanylpyrimidin-4-yl)amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(2-azanylpyrimidin-4-yl)amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(2-aminopyrimidin-4-yl)amino]benzoate CAS Name: 4-[(2-amino-4-pyrimidinyl)amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(2-aminopyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(2-aminopyrimidin-4-yl)amino]benzoic acid 2-diethylaminoethyl ester Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC=C2)N

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC=C2)N

InChI

InChI=1S/C17H23N5O2/c1-3-22(4-2)11-12-24-16(23)13-5-7-14(8-6-13)20-15-9-10-19-17(18)21-15/h5-10H,3-4,11-12H2,1-2H3,(H3,18,19,20,21)