6-(3-ethoxy-4-propan-2-yloxy-phenyl)-3,8-dimethyl-1H-pteridin-8-ium-2,4-dione

Systemtic Name: 6-(3-ethoxy-4-propan-2-yloxy-phenyl)-3,8-dimethyl-1H-pteridin-8-ium-2,4-dione Openeye Name: 6-(3-ethoxy-4-isopropoxy-phenyl)-3,8-dimethyl-1H-pteridin-8-ium-2,4-dione CAS Name: 6-(3-ethoxy-4-propan-2-yloxyphenyl)-3,8-dimethyl-1H-pteridin-8-ium-2,4-dione IUPAC Name: 6-(3-ethoxy-4-propan-2-yloxyphenyl)-3,8-dimethyl-1H-pteridin-8-ium-2,4-dione Traditional Name: 6-(3-ethoxy-4-isopropoxy-phenyl)-3,8-dimethyl-1H-pteridin-8-ium-2,4-quinone Formula: C19H23N4O4+ MolecularWeight: 371.41032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C[N+](=C3C(=N2)C(=O)N(C(=O)N3)C)C)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C[N+](=C3C(=N2)C(=O)N(C(=O)N3)C)C)OC(C)C

InChI

InChI=1S/C19H22N4O4/c1-6-26-15-9-12(7-8-14(15)27-11(2)3)13-10-22(4)17-16(20-13)18(24)23(5)19(25)21-17/h7-11H,6H2,1-5H3/p+1