azanyl-[2-(4-methylphenyl)-4-pyridin-4-yl-pyrimidin-5-yl]carbonyl-azanium dichloride

Systemtic Name: azanyl-[2-(4-methylphenyl)-4-pyridin-4-yl-pyrimidin-5-yl]carbonyl-azanium dichloride Openeye Name: amino-[2-(p-tolyl)-4-(4-pyridyl)pyrimidine-5-carbonyl]ammonium dichloride CAS Name: amino-[[2-(4-methylphenyl)-4-pyridin-4-yl-5-pyrimidinyl]-oxomethyl]ammonium dichloride IUPAC Name: amino-[2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carbonyl]azanium dichloride Traditional Name: amino-[2-(p-tolyl)-4-(4-pyridyl)pyrimidine-5-carbonyl]ammonium dichloride Formula: C34H32Cl2N10O2 MolecularWeight: 683.58968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=NC=C3)C(=O)[NH2+]N.CC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=NC=C3)C(=O)[NH2+]N.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=NC=C3)C(=O)[NH2+]N.CC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=NC=C3)C(=O)[NH2+]N.[Cl-].[Cl-]

InChI

InChI=1S/2C17H15N5O.2ClH/c2*1-11-2-4-13(5-3-11)16-20-10-14(17(23)22-18)15(21-16)12-6-8-19-9-7-12;;/h2*2-10H,18H2,1H3,(H,22,23);2*1H