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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C17H22N4O3/c1-24-16(23)12-9-7-11(8-10-12)5-3-2-4-6-13-14(18)20-17(19)21-15(13)22/h7-10H,2-6H2,1H3,(H5,18,19,20,21,22)