6-chloranyl-4-oxidanylidene-3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propyl]quinazoline-7-carbonitrile

Systemtic Name: 6-chloranyl-4-oxidanylidene-3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propyl]quinazoline-7-carbonitrile Openeye Name: 6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxo-propyl]-4-oxo-quinazoline-7-carbonitrile CAS Name: 6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4-oxo-7-quinazolinecarbonitrile IUPAC Name: 6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-4-oxoquinazoline-7-carbonitrile Traditional Name: 6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-keto-propyl]-4-keto-quinazoline-7-carbonitrile Formula: C17H17ClN4O3 MolecularWeight: 360.79488

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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)Cl)O

Isomeric SMILES

C1C[C@@H]([C@H](NC1)CC(=O)CN2C=NC3=C(C2=O)C=C(C(=C3)C#N)Cl)O

InChI

InChI=1S/C17H17ClN4O3/c18-13-6-12-14(4-10(13)7-19)21-9-22(17(12)25)8-11(23)5-15-16(24)2-1-3-20-15/h4,6,9,15-16,20,24H,1-3,5,8H2/t15-,16+/m1/s1