8-(1-methoxy-2-oxidanyl-heptyl)-2-(2-propoxyphenyl)-1H-quinazolin-4-one; morpholine-4-sulfinic acid

Systemtic Name: 8-(1-methoxy-2-oxidanyl-heptyl)-2-(2-propoxyphenyl)-1H-quinazolin-4-one; morpholine-4-sulfinic acid Openeye Name: 8-(2-hydroxy-1-methoxy-heptyl)-2-(2-propoxyphenyl)-1H-quinazolin-4-one; morpholine-4-sulfinic acid CAS Name: 8-(2-hydroxy-1-methoxyheptyl)-2-(2-propoxyphenyl)-1H-quinazolin-4-one; 4-morpholinesulfinic acid IUPAC Name: 8-(2-hydroxy-1-methoxyheptyl)-2-(2-propoxyphenyl)-1H-quinazolin-4-one; morpholine-4-sulfinic acid Traditional Name: 8-(2-hydroxy-1-methoxy-heptyl)-2-(2-propoxyphenyl)-1H-quinazolin-4-one; morpholine-4-sulfinic acid Formula: C29H41N3O7S MolecularWeight: 575.71674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C1=CC=CC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)OC)O.C1COCCN1S(=O)O

Isomeric SMILES

CCCCCC(C(C1=CC=CC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)OC)O.C1COCCN1S(=O)O

InChI

InChI=1S/C25H32N2O4.C4H9NO3S/c1-4-6-7-14-20(28)23(30-3)18-12-10-13-19-22(18)26-24(27-25(19)29)17-11-8-9-15-21(17)31-16-5-2;6-9(7)5-1-3-8-4-2-5/h8-13,15,20,23,28H,4-7,14,16H2,1-3H3,(H,26,27,29);1-4H2,(H,6,7)