4-oxidanylidene-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazoline-6-carbonitrile dihydrochloride

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazoline-6-carbonitrile dihydrochloride Openeye Name: 3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]-4-oxo-quinazoline-6-carbonitrile dihydrochloride CAS Name: 3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-4-oxo-6-quinazolinecarbonitrile dihydrochloride IUPAC Name: 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile dihydrochloride Traditional Name: 3-[3-(3-hydroxy-2-piperidyl)-2-keto-propyl]-4-keto-quinazoline-6-carbonitrile dihydrochloride Formula: C17H20Cl2N4O3 MolecularWeight: 399.2717

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)CC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)C#N)O.Cl.Cl

Isomeric SMILES

C1CC(C(NC1)CC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)C#N)O.Cl.Cl

InChI

InChI=1S/C17H18N4O3.2ClH/c18-8-11-3-4-14-13(6-11)17(24)21(10-20-14)9-12(22)7-15-16(23)2-1-5-19-15;;/h3-4,6,10,15-16,19,23H,1-2,5,7,9H2;2*1H