3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-7-chloranyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-7-chloranyl-quinazolin-4-one Openeye Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-7-chloro-quinazolin-4-one CAS Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-7-chloro-4-quinazolinone IUPAC Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-7-chloroquinazolin-4-one Traditional Name: 7-chloro-3-[(2S)-2-hydroxy-3-piperonyloxy-propyl]quinazolin-4-one Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC(CN3C=NC4=C(C3=O)C=CC(=C4)Cl)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC[C@H](CN3C=NC4=C(C3=O)C=CC(=C4)Cl)O

InChI

InChI=1S/C19H17ClN2O5/c20-13-2-3-15-16(6-13)21-10-22(19(15)24)7-14(23)9-25-8-12-1-4-17-18(5-12)27-11-26-17/h1-6,10,14,23H,7-9,11H2/t14-/m0/s1