N-methyl-4-oxidanylidene-3-pentyl-N-(phenylmethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-pentyl-N-(phenylmethyl)-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-N-methyl-4-oxo-3-pentyl-2-(2-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-methyl-4-oxo-3-pentyl-N-(phenylmethyl)-2-(2-pyridinylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-N-methyl-4-oxo-3-pentyl-2-(pyridin-2-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: 3-amyl-N-benzyl-4-keto-N-methyl-2-(2-pyridylmethylthio)quinazoline-7-carboxamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3)N=C1SCC4=CC=CC=N4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3)N=C1SCC4=CC=CC=N4

InChI

InChI=1S/C28H30N4O2S/c1-3-4-10-17-32-27(34)24-15-14-22(26(33)31(2)19-21-11-6-5-7-12-21)18-25(24)30-28(32)35-20-23-13-8-9-16-29-23/h5-9,11-16,18H,3-4,10,17,19-20H2,1-2H3