4,6,7-trimethyl-2-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline

Systemtic Name: 4,6,7-trimethyl-2-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 4,6,7-trimethyl-2-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 4,6,7-trimethyl-2-[4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 4,6,7-trimethyl-2-[4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 4,6,7-trimethyl-2-[4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C25H30N7+ MolecularWeight: 428.5526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC=CN4C5=NC=CC=N5)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC=CN4C5=NC=CC=N5)C)C

InChI

InChI=1S/C25H29N7/c1-18-15-22-20(3)28-25(29-23(22)16-19(18)2)31-11-6-10-30(13-14-31)17-21-7-4-12-32(21)24-26-8-5-9-27-24/h4-5,7-9,12,15-16H,6,10-11,13-14,17H2,1-3H3/p+1