3-azanyl-5-[5-[(2-thiophen-3-ylquinazolin-4-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[5-[(2-thiophen-3-ylquinazolin-4-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[[2-(3-thienyl)quinazolin-4-yl]amino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[[2-(3-thiophenyl)-4-quinazolinyl]amino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-[(2-thiophen-3-ylquinazolin-4-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-[[2-(3-thienyl)quinazolin-4-yl]amino]pentyl]-1H-pyrazole-4-carbonitrile Formula: C21H21N7S MolecularWeight: 403.50334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CSC=C3)NCCCCCC4=C(C(=NN4)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CSC=C3)NCCCCCC4=C(C(=NN4)N)C#N

InChI

InChI=1S/C21H21N7S/c22-12-16-18(27-28-19(16)23)8-2-1-5-10-24-21-15-6-3-4-7-17(15)25-20(26-21)14-9-11-29-13-14/h3-4,6-7,9,11,13H,1-2,5,8,10H2,(H3,23,27,28)(H,24,25,26)