5,7-dimethyl-3-(phenylmethyl)pyrano[2,3-d]pyrimidin-1-ium-2,4-dione perchlorate

Systemtic Name: 5,7-dimethyl-3-(phenylmethyl)pyrano[2,3-d]pyrimidin-1-ium-2,4-dione perchlorate Openeye Name: 3-benzyl-5,7-dimethyl-pyrano[2,3-d]pyrimidin-1-ium-2,4-dione perchlorate CAS Name: 5,7-dimethyl-3-(phenylmethyl)pyrano[2,3-d]pyrimidin-1-ium-2,4-dione perchlorate IUPAC Name: 3-benzyl-5,7-dimethylpyrano[2,3-d]pyrimidin-1-ium-2,4-dione perchlorate Traditional Name: 3-benzyl-5,7-dimethyl-pyrano[2,3-d]pyrimidin-1-ium-2,4-quinone perchlorate Formula: C16H15ClN2O7 MolecularWeight: 382.7525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=[NH+]C(=O)N(C2=O)CC3=CC=CC=C3)O1)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=C2C(=[NH+]C(=O)N(C2=O)CC3=CC=CC=C3)O1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H14N2O3.ClHO4/c1-10-8-11(2)21-14-13(10)15(19)18(16(20)17-14)9-12-6-4-3-5-7-12;2-1(3,4)5/h3-8H,9H2,1-2H3;(H,2,3,4,5)