7-chloranyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 7-chloro-3-(3-isopropoxypropyl)-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[(2-oxo-3-azepanyl)thio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-(2-oxoazepan-3-yl)sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 7-chloro-3-(3-isopropoxypropyl)-2-[(2-ketoazepan-3-yl)thio]quinazolin-4-one Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC3CCCCNC3=O

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC3CCCCNC3=O

InChI

InChI=1S/C20H26ClN3O3S/c1-13(2)27-11-5-10-24-19(26)15-8-7-14(21)12-16(15)23-20(24)28-17-6-3-4-9-22-18(17)25/h7-8,12-13,17H,3-6,9-11H2,1-2H3,(H,22,25)