2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine

Systemtic Name: 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine Openeye Name: 2-[4-[[6-methoxy-2-[2-(2-pyridyl)ethynyl]quinazolin-4-yl]amino]butyl]guanidine CAS Name: 2-[4-[[6-methoxy-2-[2-(2-pyridinyl)ethynyl]-4-quinazolinyl]amino]butyl]guanidine IUPAC Name: 2-[4-[[6-methoxy-2-(2-pyridin-2-ylethynyl)quinazolin-4-yl]amino]butyl]guanidine Traditional Name: 2-[4-[[6-methoxy-2-[2-(2-pyridyl)ethynyl]quinazolin-4-yl]amino]butyl]guanidine Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C2NCCCCN=C(N)N)C#CC3=CC=CC=N3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C2NCCCCN=C(N)N)C#CC3=CC=CC=N3

InChI

InChI=1S/C21H23N7O/c1-29-16-8-9-18-17(14-16)20(25-12-4-5-13-26-21(22)23)28-19(27-18)10-7-15-6-2-3-11-24-15/h2-3,6,8-9,11,14H,4-5,12-13H2,1H3,(H4,22,23,26)(H,25,27,28)