2-tert-butyl-4-oxidanylidene-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-5-carbonitrile hydrochloride

Systemtic Name: 2-tert-butyl-4-oxidanylidene-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-5-carbonitrile hydrochloride Openeye Name: 2-tert-butyl-4-oxo-6-(3-pyridylmethylamino)-1H-pyrimidine-5-carbonitrile hydrochloride CAS Name: 2-tert-butyl-4-oxo-6-(3-pyridinylmethylamino)-1H-pyrimidine-5-carbonitrile hydrochloride IUPAC Name: 2-tert-butyl-4-oxo-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-5-carbonitrile hydrochloride Traditional Name: 2-tert-butyl-4-keto-6-(3-pyridylmethylamino)-1H-pyrimidine-5-carbonitrile hydrochloride Formula: C15H18ClN5O MolecularWeight: 319.78932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=O)C(=C(N1)NCC2=CN=CC=C2)C#N.Cl

Isomeric SMILES

CC(C)(C)C1=NC(=O)C(=C(N1)NCC2=CN=CC=C2)C#N.Cl

InChI

InChI=1S/C15H17N5O.ClH/c1-15(2,3)14-19-12(11(7-16)13(21)20-14)18-9-10-5-4-6-17-8-10;/h4-6,8H,9H2,1-3H3,(H2,18,19,20,21);1H