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

Systemtic Name: methyl 4-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propylcarbamoyl]benzoate Openeye Name: methyl 4-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylcarbamoyl]benzoate CAS Name: 4-[[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylcarbamoyl]benzoate Traditional Name: 4-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propylcarbamoyl]benzoic acid methyl ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCNC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCNC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H20N4O4/c1-10-13(15(23)21-17(18)20-10)4-3-9-19-14(22)11-5-7-12(8-6-11)16(24)25-2/h5-8H,3-4,9H2,1-2H3,(H,19,22)(H3,18,20,21,23)