2-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-[4-[(5-chloro-2-thienyl)methyl]piperazino]-3-keto-propyl]-1H-quinazolin-4-one Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H21ClN4O2S/c21-17-6-5-14(28-17)13-24-9-11-25(12-10-24)19(26)8-7-18-22-16-4-2-1-3-15(16)20(27)23-18/h1-6H,7-13H2,(H,22,23,27)