[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanone Formula: C27H25N7OS MolecularWeight: 495.5987

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C27H25N7OS/c28-26-20-9-4-5-10-22(20)29-24(30-26)18-32-12-14-33(15-13-32)27(35)21-17-34(19-7-2-1-3-8-19)31-25(21)23-11-6-16-36-23/h1-11,16-17H,12-15,18H2,(H2,28,29,30)