ethyl 4-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propylamino]benzoate

Systemtic Name: ethyl 4-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propylamino]benzoate Openeye Name: ethyl 4-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylamino]benzoate CAS Name: 4-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylamino]benzoate Traditional Name: 4-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propylamino]benzoic acid ethyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCC2=C(NC(=NC2=O)N)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCC2=C(NC(=NC2=O)N)C

InChI

InChI=1S/C17H22N4O3/c1-3-24-16(23)12-6-8-13(9-7-12)19-10-4-5-14-11(2)20-17(18)21-15(14)22/h6-9,19H,3-5,10H2,1-2H3,(H3,18,20,21,22)