6-[(1-tert-butylpyrrol-3-yl)methyl]-2-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one

Systemtic Name: 6-[(1-tert-butylpyrrol-3-yl)methyl]-2-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one Openeye Name: 6-[(1-tert-butylpyrrol-3-yl)methyl]-2-(4-pyridyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one CAS Name: 6-[(1-tert-butyl-3-pyrrolyl)methyl]-2-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one IUPAC Name: 6-[(1-tert-butylpyrrol-3-yl)methyl]-2-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one Traditional Name: 6-[(1-tert-butylpyrrol-3-yl)methyl]-2-(4-pyridyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC(=C1)C[NH+]2CCC3=C(C2)C(=O)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)N1C=CC(=C1)C[NH+]2CCC3=C(C2)C(=O)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C21H25N5O/c1-21(2,3)26-11-6-15(13-26)12-25-10-7-18-17(14-25)20(27)24-19(23-18)16-4-8-22-9-5-16/h4-6,8-9,11,13H,7,10,12,14H2,1-3H3,(H,23,24,27)/p+1