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

Systemtic Name: 3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-1-methyl-1-prop-2-enyl-urea Openeye Name: 1-allyl-3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-methyl-urea CAS Name: 3-[4-(3-ethynylanilino)-6-quinazolinyl]-1-methyl-1-prop-2-enylurea IUPAC Name: 3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-methyl-1-prop-2-enylurea Traditional Name: 1-allyl-3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-methyl-urea Formula: C21H19N5O MolecularWeight: 357.40846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O/c1-4-11-26(3)21(27)25-17-9-10-19-18(13-17)20(23-14-22-19)24-16-8-6-7-15(5-2)12-16/h2,4,6-10,12-14H,1,11H2,3H3,(H,25,27)(H,22,23,24)