5-chloranyl-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-amine dichloride

Systemtic Name: 5-chloranyl-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-amine dichloride Openeye Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-amine dichloride CAS Name: 5-chloro-2,6-bis[4-(dimethylamino)-1-pyridin-1-iumyl]-4-pyrimidinamine dichloride IUPAC Name: 5-chloro-2,6-bis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-4-amine dichloride Traditional Name: [1-[4-amino-5-chloro-6-[4-(dimethylamino)pyridin-1-ium-1-yl]pyrimidin-2-yl]pyridin-1-ium-4-yl]-dimethyl-amine dichloride Formula: C18H22Cl3N7 MolecularWeight: 442.77318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)N(C)C)N)Cl.[Cl-].[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)N(C)C)N)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C18H22ClN7.2ClH/c1-23(2)13-5-9-25(10-6-13)17-15(19)16(20)21-18(22-17)26-11-7-14(8-12-26)24(3)4;;/h5-12H,1-4H3,(H2,20,21,22);2*1H/q+2;;/p-2