6-[4-[[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]phenyl]hex-5-ynoic acid

Systemtic Name: 6-[4-[[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]phenyl]hex-5-ynoic acid Openeye Name: 6-[4-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methyl]phenyl]hex-5-ynoic acid CAS Name: 6-[4-[(5-methyl-2,4-dioxo-1-pyrimidinyl)methyl]phenyl]-5-hexynoic acid IUPAC Name: 6-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]hex-5-ynoic acid Traditional Name: 6-[4-[(2,4-diketo-5-methyl-pyrimidin-1-yl)methyl]phenyl]hex-5-ynoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)C#CCCCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)C#CCCCC(=O)O

InChI

InChI=1S/C18H18N2O4/c1-13-11-20(18(24)19-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(21)22/h7-11H,2,4,6,12H2,1H3,(H,21,22)(H,19,23,24)