1-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(3-pyridylmethyl)urea CAS Name: 1-[4-(3-ethynylanilino)-6-quinazolinyl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(3-pyridylmethyl)urea Formula: C23H18N6O MolecularWeight: 394.42862

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)NCC4=CN=CC=C4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H18N6O/c1-2-16-5-3-7-18(11-16)28-22-20-12-19(8-9-21(20)26-15-27-22)29-23(30)25-14-17-6-4-10-24-13-17/h1,3-13,15H,14H2,(H2,25,29,30)(H,26,27,28)