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

Systemtic Name: 3-azanyl-5-[3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[[2-(3-thienyl)quinazolin-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[[2-(3-thiophenyl)-4-quinazolinyl]amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[[2-(3-thienyl)quinazolin-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C19H17N7S MolecularWeight: 375.45018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CSC=C3)NCCCC4=C(C(=NN4)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CSC=C3)NCCCC4=C(C(=NN4)N)C#N

InChI

InChI=1S/C19H17N7S/c20-10-14-16(25-26-17(14)21)6-3-8-22-19-13-4-1-2-5-15(13)23-18(24-19)12-7-9-27-11-12/h1-2,4-5,7,9,11H,3,6,8H2,(H3,21,25,26)(H,22,23,24)