N-[4-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]piperidin-4-yl]-3-methyl-2-methylsulfanyl-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-[4-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]piperidin-4-yl]-3-methyl-2-methylsulfanyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-[4-[(2,4-difluorophenyl)methylcarbamoyl]-4-piperidyl]-3-methyl-2-methylsulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-[4-[[(2,4-difluorophenyl)methylamino]-oxomethyl]-4-piperidinyl]-3-methyl-2-(methylthio)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-3-methyl-2-methylsulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-[4-[(2,4-difluorobenzyl)carbamoyl]-4-piperidyl]-4-keto-3-methyl-2-(methylthio)quinazoline-7-carboxamide Formula: C24H25F2N5O3S MolecularWeight: 501.548806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3(CCNCC3)C(=O)NCC4=C(C=C(C=C4)F)F)N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3(CCNCC3)C(=O)NCC4=C(C=C(C=C4)F)F)N=C1SC

InChI

InChI=1S/C24H25F2N5O3S/c1-31-21(33)17-6-4-14(11-19(17)29-23(31)35-2)20(32)30-24(7-9-27-10-8-24)22(34)28-13-15-3-5-16(25)12-18(15)26/h3-6,11-12,27H,7-10,13H2,1-2H3,(H,28,34)(H,30,32)