methyl 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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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=C(S4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C20H21ClN4O3S/c1-28-20(27)13-2-4-15-16(10-13)22-18(23-19(15)26)12-25-8-6-24(7-9-25)11-14-3-5-17(21)29-14/h2-5,10H,6-9,11-12H2,1H3,(H,22,23,26)