4-[(3-ethynylphenyl)amino]quinazoline-6-carbonitrile

Systemtic Name: 4-[(3-ethynylphenyl)amino]quinazoline-6-carbonitrile Openeye Name: 4-(3-ethynylanilino)quinazoline-6-carbonitrile CAS Name: 4-(3-ethynylanilino)-6-quinazolinecarbonitrile IUPAC Name: 4-(3-ethynylanilino)quinazoline-6-carbonitrile Traditional Name: 4-(3-ethynylanilino)quinazoline-6-carbonitrile Formula: C17H10N4 MolecularWeight: 270.2881

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)C#N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)C#N

InChI

InChI=1S/C17H10N4/c1-2-12-4-3-5-14(8-12)21-17-15-9-13(10-18)6-7-16(15)19-11-20-17/h1,3-9,11H,(H,19,20,21)