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

Systemtic Name: 4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-5,5-dimethoxy-pentyl]benzoic acid Openeye Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-5,5-dimethoxy-pentyl]benzoic acid CAS Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-5,5-dimethoxypentyl]benzoic acid IUPAC Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-5,5-dimethoxypentyl]benzoic acid Traditional Name: 4-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)-5,5-dimethoxy-pentyl]benzoic acid Formula: C18H24N4O5 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(CCCC1=CC=C(C=C1)C(=O)O)C2=C(NC(=NC2=O)N)N)OC

Isomeric SMILES

COC(C(CCCC1=CC=C(C=C1)C(=O)O)C2=C(NC(=NC2=O)N)N)OC

InChI

InChI=1S/C18H24N4O5/c1-26-17(27-2)12(13-14(19)21-18(20)22-15(13)23)5-3-4-10-6-8-11(9-7-10)16(24)25/h6-9,12,17H,3-5H2,1-2H3,(H,24,25)(H5,19,20,21,22,23)