1-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazino]-4-(2-thienyl)butane-1,4-dione Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S/c26-17(18-6-3-13-29-18)7-8-20(27)25-11-9-24(10-12-25)14-19-22-16-5-2-1-4-15(16)21(28)23-19/h1-6,13H,7-12,14H2,(H,22,23,28)