7-chloranyl-3-(2-methoxyethyl)-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(2-methoxyethyl)-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-(2-methoxyethyl)-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(2-methoxyethyl)-2-[[(3S)-2-oxo-3-azepanyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methoxyethyl)-2-[(3S)-2-oxoazepan-3-yl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[[(3S)-2-ketoazepan-3-yl]thio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC3CCCCNC3=O

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1S[C@H]3CCCCNC3=O

InChI

InChI=1S/C17H20ClN3O3S/c1-24-9-8-21-16(23)12-6-5-11(18)10-13(12)20-17(21)25-14-4-2-3-7-19-15(14)22/h5-6,10,14H,2-4,7-9H2,1H3,(H,19,22)/t14-/m0/s1