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

Systemtic Name: 1-phenethyl-6-propan-2-yl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-isopropyl-1-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 1-phenethyl-6-propan-2-yl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 1-phenethyl-6-propan-2-yl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-isopropyl-1-phenethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC2=C(NC1)N(C(=O)NC2=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CC2=C(NC1)N(C(=O)NC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2/c1-12(2)20-10-14-15(18-11-20)21(17(23)19-16(14)22)9-8-13-6-4-3-5-7-13/h3-7,12,18H,8-11H2,1-2H3,(H,19,22,23)/p+1