N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3Cl)N4CCCC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC[C@@H](C3=CC=CC=C3Cl)N4CCCC4)NC1=S

InChI

InChI=1S/C22H23ClN4O2S/c1-26-21(29)16-9-8-14(12-18(16)25-22(26)30)20(28)24-13-19(27-10-4-5-11-27)15-6-2-3-7-17(15)23/h2-3,6-9,12,19H,4-5,10-11,13H2,1H3,(H,24,28)(H,25,30)/t19-/m0/s1