N-[4-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-4-keto-butyl]thiophene-3-carboxamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)CCCNC(=O)C4=CSC=C4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)CCCNC(=O)C4=CSC=C4

InChI

InChI=1S/C22H26N6O2S/c23-21-17-4-1-2-5-18(17)25-19(26-21)14-27-9-11-28(12-10-27)20(29)6-3-8-24-22(30)16-7-13-31-15-16/h1-2,4-5,7,13,15H,3,6,8-12,14H2,(H,24,30)(H2,23,25,26)