4-[[2,4-bis(azanyl)pyrimidin-5-yl]methylideneamino]benzoic acid chloride

Systemtic Name: 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methylideneamino]benzoic acid chloride Openeye Name: 4-[(2,4-diaminopyrimidin-5-yl)methyleneamino]benzoic acid chloride CAS Name: 4-[(2,4-diamino-5-pyrimidinyl)methylideneamino]benzoic acid chloride IUPAC Name: 4-[(2,4-diaminopyrimidin-5-yl)methylideneamino]benzoic acid chloride Traditional Name: 4-[(2,4-diaminopyrimidin-5-yl)methyleneamino]benzoic acid chloride Formula: C12H11ClN5O2- MolecularWeight: 292.70104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N=CC2=CN=C(N=C2N)N.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N=CC2=CN=C(N=C2N)N.[Cl-]

InChI

InChI=1S/C12H11N5O2.ClH/c13-10-8(6-16-12(14)17-10)5-15-9-3-1-7(2-4-9)11(18)19;/h1-6H,(H,18,19)(H4,13,14,16,17);1H/p-1