N6-(2-azanyl-6-methyl-pyrimidin-4-yl)-1-methyl-quinazolin-1-ium-4,6-diamine iodide

Systemtic Name: N6-(2-azanyl-6-methyl-pyrimidin-4-yl)-1-methyl-quinazolin-1-ium-4,6-diamine iodide Openeye Name: N6-(2-amino-6-methyl-pyrimidin-4-yl)-1-methyl-quinazolin-1-ium-4,6-diamine iodide CAS Name: N6-(2-amino-6-methyl-4-pyrimidinyl)-1-methylquinazolin-1-ium-4,6-diamine iodide IUPAC Name: 6-N-(2-amino-6-methylpyrimidin-4-yl)-1-methylquinazolin-1-ium-4,6-diamine iodide Traditional Name: (2-amino-6-methyl-pyrimidin-4-yl)-(4-amino-1-methyl-quinazolin-1-ium-6-yl)amine iodide Formula: C14H16IN7 MolecularWeight: 409.22821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)NC2=CC3=C(N=C[N+](=C3C=C2)C)N.[I-]

Isomeric SMILES

CC1=CC(=NC(=N1)N)NC2=CC3=C(N=C[N+](=C3C=C2)C)N.[I-]

InChI

InChI=1S/C14H15N7.HI/c1-8-5-12(20-14(16)18-8)19-9-3-4-11-10(6-9)13(15)17-7-21(11)2;/h3-7,15H,1-2H3,(H3,16,18,19,20);1H