2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1H-quinazolin-4-one

Systemtic Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1H-quinazolin-4-one Openeye Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1H-quinazolin-4-one CAS Name: 2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1H-quinazolin-4-one IUPAC Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-quinazolin-4-one Traditional Name: 2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1H-quinazolin-4-one Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O4S/c1-3-29-19-9-8-15(30(27,28)25-12-10-24(2)11-13-25)14-17(19)20-22-18-7-5-4-6-16(18)21(26)23-20/h4-9,14H,3,10-13H2,1-2H3,(H,22,23,26)