1,3-dimethyl-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Systemtic Name: 1,3-dimethyl-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 1,3-dimethyl-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1,3-dimethyl-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1,3-dimethyl-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 1,3-dimethyl-6-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C[NH+](CN2)CCC3=CC=CC=C3)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C[NH+](CN2)CCC3=CC=CC=C3)C(=O)N(C1=O)C

InChI

InChI=1S/C16H20N4O2/c1-18-14-13(15(21)19(2)16(18)22)10-20(11-17-14)9-8-12-6-4-3-5-7-12/h3-7,17H,8-11H2,1-2H3/p+1