1-[4-(7-chloranyl-2-thiophen-2-yl-quinazolin-4-yl)piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-(7-chloranyl-2-thiophen-2-yl-quinazolin-4-yl)piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[7-chloro-2-(2-thienyl)quinazolin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(7-chloro-2-thiophen-2-yl-4-quinazolinyl)-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(7-chloro-2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[7-chloro-2-(2-thienyl)quinazolin-4-yl]piperazino]-3-methyl-butan-1-one Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=CC(=C3)Cl)C4=CC=CS4

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=CC(=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H23ClN4OS/c1-14(2)12-19(27)25-7-9-26(10-8-25)21-16-6-5-15(22)13-17(16)23-20(24-21)18-4-3-11-28-18/h3-6,11,13-14H,7-10,12H2,1-2H3