4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline

Systemtic Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Openeye Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline CAS Name: 4-[4-(2-pyrimidinyl)-1-piperazinyl]-2-(1-pyrrolidin-1-iumylmethyl)quinazoline IUPAC Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Traditional Name: 4-[4-(2-pyrimidyl)piperazino]-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Formula: C21H26N7+ MolecularWeight: 376.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H25N7/c1-2-7-18-17(6-1)20(25-19(24-18)16-26-10-3-4-11-26)27-12-14-28(15-13-27)21-22-8-5-9-23-21/h1-2,5-9H,3-4,10-16H2/p+1