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

Systemtic Name: 3-azanyl-5-[3-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[methyl-[2-(3-thienyl)quinazolin-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[methyl-[2-(3-thiophenyl)-4-quinazolinyl]amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[methyl-[2-(3-thienyl)quinazolin-4-yl]amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C20H19N7S MolecularWeight: 389.47676

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=C(C(=NN1)N)C#N)C2=NC(=NC3=CC=CC=C32)C4=CSC=C4

Isomeric SMILES

CN(CCCC1=C(C(=NN1)N)C#N)C2=NC(=NC3=CC=CC=C32)C4=CSC=C4

InChI

InChI=1S/C20H19N7S/c1-27(9-4-7-17-15(11-21)18(22)26-25-17)20-14-5-2-3-6-16(14)23-19(24-20)13-8-10-28-12-13/h2-3,5-6,8,10,12H,4,7,9H2,1H3,(H3,22,25,26)