4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4,4-dimethoxy-butyl]benzoic acid

Systemtic Name: 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4,4-dimethoxy-butyl]benzoic acid Openeye Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-4,4-dimethoxy-butyl]benzoic acid CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-4,4-dimethoxybutyl]benzoic acid IUPAC Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-4,4-dimethoxybutyl]benzoic acid Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)-4,4-dimethoxy-butyl]benzoic acid Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(CCC1=CC=C(C=C1)C(=O)O)C2=C(NC(=NC2=O)N)N)OC

Isomeric SMILES

COC(C(CCC1=CC=C(C=C1)C(=O)O)C2=C(NC(=NC2=O)N)N)OC

InChI

InChI=1S/C17H22N4O5/c1-25-16(26-2)11(12-13(18)20-17(19)21-14(12)22)8-5-9-3-6-10(7-4-9)15(23)24/h3-4,6-7,11,16H,5,8H2,1-2H3,(H,23,24)(H5,18,19,20,21,22)