3-[4-[(3-ethynylphenyl)amino]quinazolin-7-yl]-1-methyl-1-prop-2-enyl-urea

Systemtic Name: 3-[4-[(3-ethynylphenyl)amino]quinazolin-7-yl]-1-methyl-1-prop-2-enyl-urea Openeye Name: 1-allyl-3-[4-(3-ethynylanilino)quinazolin-7-yl]-1-methyl-urea CAS Name: 3-[4-(3-ethynylanilino)-7-quinazolinyl]-1-methyl-1-prop-2-enylurea IUPAC Name: 3-[4-(3-ethynylanilino)quinazolin-7-yl]-1-methyl-1-prop-2-enylurea Traditional Name: 1-allyl-3-[4-(3-ethynylanilino)quinazolin-7-yl]-1-methyl-urea Formula: C21H19N5O MolecularWeight: 357.40846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC=C)C(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CN(CC=C)C(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H19N5O/c1-4-11-26(3)21(27)25-17-9-10-18-19(13-17)22-14-23-20(18)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)