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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NCCCCCC4=C(C(=NN4)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NCCCCCC4=C(C(=NN4)N)C#N

InChI

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