methyl 5-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C21H22N4O3S/c1-11-17(20(27)28-3)12(2)22-18(11)16(26)10-29-21-24-15-7-5-4-6-14(15)19(25-21)23-13-8-9-13/h4-7,13,22H,8-10H2,1-3H3,(H,23,24,25)