N,N-diethyl-4-oxidanylidene-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N,N-diethyl-4-oxidanylidene-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N,N-diethyl-4-oxo-3-pentyl-2-(4-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N,N-diethyl-4-oxo-3-pentyl-2-(pyridin-4-ylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N,N-diethyl-4-oxo-3-pentyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: 3-amyl-N,N-diethyl-4-keto-2-(4-pyridylmethylthio)quinazoline-7-carboxamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC)CC)N=C1SCC3=CC=NC=C3

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC)CC)N=C1SCC3=CC=NC=C3

InChI

InChI=1S/C24H30N4O2S/c1-4-7-8-15-28-23(30)20-10-9-19(22(29)27(5-2)6-3)16-21(20)26-24(28)31-17-18-11-13-25-14-12-18/h9-14,16H,4-8,15,17H2,1-3H3