2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-7-chloranyl-3-(2-methoxyethyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-7-chloranyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-7-chloro-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H18ClN5O2S/c1-28-9-8-26-19(27)14-7-6-12(21)10-16(14)24-20(26)29-11-17-23-15-5-3-2-4-13(15)18(22)25-17/h2-7,10H,8-9,11H2,1H3,(H2,22,23,25)