6-[1-(dimethylaminomethyl)-1-methyl-imidazol-1-ium-2-yl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-[1-(dimethylaminomethyl)-1-methyl-imidazol-1-ium-2-yl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-6-[1-(dimethylaminomethyl)-1-methyl-imidazol-1-ium-2-yl]pyrido[3,4-d]pyrimidin-4-amine CAS Name: 6-[1-(dimethylaminomethyl)-1-methyl-2-imidazol-1-iumyl]-N-(4-phenylmethoxyphenyl)-4-pyrido[3,4-d]pyrimidinamine IUPAC Name: 6-[1-(dimethylaminomethyl)-1-methylimidazol-1-ium-2-yl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine Traditional Name: [2-[4-(4-benzoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]-1-methyl-imidazol-1-ium-1-yl]methyl-dimethyl-amine Formula: C27H28N7O+ MolecularWeight: 466.55752

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C[N+]1(C=CN=C1C2=NC=C3C(=C2)C(=NC=N3)NC4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CN(C)C[N+]1(C=CN=C1C2=NC=C3C(=C2)C(=NC=N3)NC4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C27H28N7O/c1-33(2)19-34(3)14-13-28-27(34)24-15-23-25(16-29-24)30-18-31-26(23)32-21-9-11-22(12-10-21)35-17-20-7-5-4-6-8-20/h4-16,18H,17,19H2,1-3H3,(H,30,31,32)/q+1