methyl 4-[2-[1-(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate

Systemtic Name: methyl 4-[2-[1-(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: methyl 4-[2-[1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-[1-[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-4-oxo-3-quinazolinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[4-keto-2-[1-[3-methyl-4-(2-thenoyl)piperazino]ethyl]quinazolin-3-yl]butyric acid methyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CS2)C(C)C3=NC4=CC=CC=C4C(=O)N3CCCC(=O)OC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CS2)C(C)C3=NC4=CC=CC=C4C(=O)N3CCCC(=O)OC

InChI

InChI=1S/C25H30N4O4S/c1-17-16-27(13-14-28(17)25(32)21-10-7-15-34-21)18(2)23-26-20-9-5-4-8-19(20)24(31)29(23)12-6-11-22(30)33-3/h4-5,7-10,15,17-18H,6,11-14,16H2,1-3H3