6-chloranyl-1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-(thiophen-2-ylmethyl)quinazoline-2,4-dione

Systemtic Name: 6-chloranyl-1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-(thiophen-2-ylmethyl)quinazoline-2,4-dione Openeye Name: 6-chloro-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-3-(2-thienylmethyl)quinazoline-2,4-dione CAS Name: 6-chloro-1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)quinazoline-2,4-dione IUPAC Name: 6-chloro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)quinazoline-2,4-dione Traditional Name: 6-chloro-1-[2-keto-2-(4-methylpiperidino)ethyl]-3-(2-thenyl)quinazoline-2,4-quinone Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C3=C(C=C(C=C3)Cl)C(=O)N(C2=O)CC4=CC=CS4

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C3=C(C=C(C=C3)Cl)C(=O)N(C2=O)CC4=CC=CS4

InChI

InChI=1S/C21H22ClN3O3S/c1-14-6-8-23(9-7-14)19(26)13-24-18-5-4-15(22)11-17(18)20(27)25(21(24)28)12-16-3-2-10-29-16/h2-5,10-11,14H,6-9,12-13H2,1H3