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

Systemtic Name: 4,6,7-trimethyl-2-[4-[(4-pyrimidin-2-yloxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 4,6,7-trimethyl-2-[4-[(4-pyrimidin-2-yloxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 4,6,7-trimethyl-2-[4-[[4-(2-pyrimidinyloxy)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 4,6,7-trimethyl-2-[4-[(4-pyrimidin-2-yloxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 4,6,7-trimethyl-2-[4-[4-(2-pyrimidyloxy)benzyl]-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C27H31N6O+ MolecularWeight: 455.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC=C(C=C4)OC5=NC=CC=N5)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC=C(C=C4)OC5=NC=CC=N5)C)C

InChI

InChI=1S/C27H30N6O/c1-19-16-24-21(3)30-26(31-25(24)17-20(19)2)33-13-5-12-32(14-15-33)18-22-6-8-23(9-7-22)34-27-28-10-4-11-29-27/h4,6-11,16-17H,5,12-15,18H2,1-3H3/p+1