1-[2-[3-(2-chloranylpyridin-4-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-(2-chloranylpyridin-4-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-(2-chloro-4-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-(2-chloro-4-pyridinyl)-4-oxo-2-quinazolinyl]thio]-1-oxohexyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(2-chloropyridin-4-yl)-4-oxoquinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[3-(2-chloro-4-pyridyl)-4-keto-quinazolin-2-yl]thio]hexanoyl]isonipecotamide Formula: C25H28ClN5O3S MolecularWeight: 514.03952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=NC=C4)Cl

Isomeric SMILES

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=NC=C4)Cl

InChI

InChI=1S/C25H28ClN5O3S/c1-2-3-8-20(24(34)30-13-10-16(11-14-30)22(27)32)35-25-29-19-7-5-4-6-18(19)23(33)31(25)17-9-12-28-21(26)15-17/h4-7,9,12,15-16,20H,2-3,8,10-11,13-14H2,1H3,(H2,27,32)