1,1-dibutyl-3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]urea

Systemtic Name: 1,1-dibutyl-3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]urea Openeye Name: 1,1-dibutyl-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea CAS Name: 1,1-dibutyl-3-[4-(3-ethynylanilino)-6-quinazolinyl]urea IUPAC Name: 1,1-dibutyl-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea Traditional Name: 1,1-dibutyl-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea Formula: C25H29N5O MolecularWeight: 415.53066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O/c1-4-7-14-30(15-8-5-2)25(31)29-21-12-13-23-22(17-21)24(27-18-26-23)28-20-11-9-10-19(6-3)16-20/h3,9-13,16-18H,4-5,7-8,14-15H2,1-2H3,(H,29,31)(H,26,27,28)