5,5-diethyl-2-[(4-methoxyphenyl)methylamino]-3-methyl-1H-pyrimidin-3-ium-4,6-dione

Systemtic Name: 5,5-diethyl-2-[(4-methoxyphenyl)methylamino]-3-methyl-1H-pyrimidin-3-ium-4,6-dione Openeye Name: 5,5-diethyl-2-[(4-methoxyphenyl)methylamino]-3-methyl-1H-pyrimidin-3-ium-4,6-dione CAS Name: 5,5-diethyl-2-[(4-methoxyphenyl)methylamino]-3-methyl-1H-pyrimidin-3-ium-4,6-dione IUPAC Name: 5,5-diethyl-2-[(4-methoxyphenyl)methylamino]-3-methyl-1H-pyrimidin-3-ium-4,6-dione Traditional Name: 5,5-diethyl-3-methyl-2-(p-anisylamino)-1H-pyrimidin-3-ium-4,6-quinone Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=[N+](C1=O)C)NCC2=CC=C(C=C2)OC)CC

Isomeric SMILES

CCC1(C(=O)NC(=[N+](C1=O)C)NCC2=CC=C(C=C2)OC)CC

InChI

InChI=1S/C17H23N3O3/c1-5-17(6-2)14(21)19-16(20(3)15(17)22)18-11-12-7-9-13(23-4)10-8-12/h7-10H,5-6,11H2,1-4H3,(H,18,19,21)/p+1