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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[1-(phenylmethyl)-3-pyrrolidinyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)NC1=S

InChI

InChI=1S/C21H22N4O2S/c1-24-20(27)17-8-7-15(11-18(17)23-21(24)28)19(26)22-16-9-10-25(13-16)12-14-5-3-2-4-6-14/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,26)(H,23,28)