methyl 4-oxidanylidene-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[4-(3-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=CSC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CSC=C4

InChI

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