2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-7-methoxy-5-oxidanyl-8-propyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-7-methoxy-5-oxidanyl-8-propyl-1H-quinazolin-4-one Openeye Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-5-hydroxy-7-methoxy-8-propyl-1H-quinazolin-4-one CAS Name: 2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-5-hydroxy-7-methoxy-8-propyl-1H-quinazolin-4-one IUPAC Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-hydroxy-7-methoxy-8-propyl-1H-quinazolin-4-one Traditional Name: 2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-5-hydroxy-7-methoxy-8-propyl-1H-quinazolin-4-one Formula: C25H32N4O6S MolecularWeight: 516.60978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)O)OC

Isomeric SMILES

CCCC1=C(C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)O)OC

InChI

InChI=1S/C25H32N4O6S/c1-5-7-17-21(34-4)15-19(30)22-23(17)26-24(27-25(22)31)18-14-16(8-9-20(18)35-6-2)36(32,33)29-12-10-28(3)11-13-29/h8-9,14-15,30H,5-7,10-13H2,1-4H3,(H,26,27,31)