methyl 4-oxidanylidene-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[4-(2-thienylmethyl)piperazin-1-yl]methyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[4-(2-thenyl)piperazino]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C20H22N4O3S/c1-27-20(26)14-4-5-16-17(11-14)21-18(22-19(16)25)13-24-8-6-23(7-9-24)12-15-3-2-10-28-15/h2-5,10-11H,6-9,12-13H2,1H3,(H,21,22,25)