6-fluoranyl-N-[(3-methoxyphenyl)methyl]-5-[2-(4-methylsulfonylpiperazin-2-yl)ethoxy]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: 6-fluoranyl-N-[(3-methoxyphenyl)methyl]-5-[2-(4-methylsulfonylpiperazin-2-yl)ethoxy]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: 6-fluoro-N-[(3-methoxyphenyl)methyl]-5-[2-(4-methylsulfonylpiperazin-2-yl)ethoxy]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: 6-fluoro-N-[(3-methoxyphenyl)methyl]-5-[2-(4-methylsulfonyl-2-piperazinyl)ethoxy]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: 6-fluoro-N-[(3-methoxyphenyl)methyl]-5-[2-(4-methylsulfonylpiperazin-2-yl)ethoxy]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 6-fluoro-4-keto-N-m-anisyl-5-[2-(4-mesylpiperazin-2-yl)ethoxy]-1H-quinazoline-2-carboxamide Formula: C24H28FN5O6S MolecularWeight: 533.572423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3OCCC4CN(CCN4)S(=O)(=O)C)F

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3OCCC4CN(CCN4)S(=O)(=O)C)F

InChI

InChI=1S/C24H28FN5O6S/c1-35-17-5-3-4-15(12-17)13-27-24(32)22-28-19-7-6-18(25)21(20(19)23(31)29-22)36-11-8-16-14-30(10-9-26-16)37(2,33)34/h3-7,12,16,26H,8-11,13-14H2,1-2H3,(H,27,32)(H,28,29,31)