1-(2-cyanoethyl)-3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-1-methyl-urea

Systemtic Name: 1-(2-cyanoethyl)-3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-1-methyl-urea Openeye Name: 1-(2-cyanoethyl)-3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-methyl-urea CAS Name: 1-(2-cyanoethyl)-3-[4-(3-ethynylanilino)-6-quinazolinyl]-1-methylurea IUPAC Name: 1-(2-cyanoethyl)-3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-methylurea Traditional Name: 1-(2-cyanoethyl)-3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-methyl-urea Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

Isomeric SMILES

CN(CCC#N)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H18N6O/c1-3-15-6-4-7-16(12-15)25-20-18-13-17(8-9-19(18)23-14-24-20)26-21(28)27(2)11-5-10-22/h1,4,6-9,12-14H,5,11H2,2H3,(H,26,28)(H,23,24,25)