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

Systemtic Name: N-[3-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C25H24N6O2S MolecularWeight: 472.56206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C25H24N6O2S/c26-23-19-7-1-2-8-20(19)28-22(29-23)16-30-10-12-31(13-11-30)25(33)17-5-3-6-18(15-17)27-24(32)21-9-4-14-34-21/h1-9,14-15H,10-13,16H2,(H,27,32)(H2,26,28,29)