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

Systemtic Name: methyl 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propyl]benzoate Openeye Name: methyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]benzoate CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]benzoate Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propyl]benzoic acid methyl ester Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C15H18N4O3/c1-22-14(21)10-7-5-9(6-8-10)3-2-4-11-12(16)18-15(17)19-13(11)20/h5-8H,2-4H2,1H3,(H5,16,17,18,19,20)