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

Systemtic Name: 6-fluoranyl-N-[(3-methoxyphenyl)methyl]-5-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: 6-fluoro-N-[(3-methoxyphenyl)methyl]-5-[2-(1-methylsulfonyl-4-piperidyl)ethoxy]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: 6-fluoro-N-[(3-methoxyphenyl)methyl]-5-[2-(1-methylsulfonyl-4-piperidinyl)ethoxy]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: 6-fluoro-N-[(3-methoxyphenyl)methyl]-5-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 6-fluoro-4-keto-N-m-anisyl-5-[2-(1-mesyl-4-piperidyl)ethoxy]-1H-quinazoline-2-carboxamide Formula: C25H29FN4O6S MolecularWeight: 532.584363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3OCCC4CCN(CC4)S(=O)(=O)C)F

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3OCCC4CCN(CC4)S(=O)(=O)C)F

InChI

InChI=1S/C25H29FN4O6S/c1-35-18-5-3-4-17(14-18)15-27-25(32)23-28-20-7-6-19(26)22(21(20)24(31)29-23)36-13-10-16-8-11-30(12-9-16)37(2,33)34/h3-7,14,16H,8-13,15H2,1-2H3,(H,27,32)(H,28,29,31)