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

Systemtic Name: 3-azanyl-5-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[[2-(2-thienyl)quinazolin-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[(2-thiophen-2-yl-4-quinazolinyl)amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[[2-(2-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=CC=CS3)NCCCC4=C(C(=NN4)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NCCCC4=C(C(=NN4)N)C#N

InChI

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