N-[(3-chlorophenyl)methyl]-4-[4-oxidanylidene-2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]butanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-[4-oxidanylidene-2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]butanamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]butanamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-quinazolinyl]butanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]butanamide Traditional Name: N-(3-chlorobenzyl)-4-[4-keto-2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]quinazolin-3-yl]butyramide Formula: C28H24ClN5O3S MolecularWeight: 546.03986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=O)N4C=CC=CC4=N3)CCCC(=O)NCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=O)N4C=CC=CC4=N3)CCCC(=O)NCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H24ClN5O3S/c29-20-8-5-7-19(15-20)17-30-25(35)12-6-14-34-27(37)22-9-1-2-10-23(22)32-28(34)38-18-21-16-26(36)33-13-4-3-11-24(33)31-21/h1-5,7-11,13,15-16H,6,12,14,17-18H2,(H,30,35)