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

Systemtic Name: methyl 4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]benzoate Openeye Name: methyl 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoate CAS Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoate Traditional Name: 4-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)butyl]benzoic acid methyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C16H20N4O3/c1-23-15(22)11-8-6-10(7-9-11)4-2-3-5-12-13(17)19-16(18)20-14(12)21/h6-9H,2-5H2,1H3,(H5,17,18,19,20,21)