N4-(3-ethynylphenyl)quinazoline-4,6-diamine

Systemtic Name: N4-(3-ethynylphenyl)quinazoline-4,6-diamine Openeye Name: N4-(3-ethynylphenyl)quinazoline-4,6-diamine CAS Name: N4-(3-ethynylphenyl)quinazoline-4,6-diamine IUPAC Name: 4-N-(3-ethynylphenyl)quinazoline-4,6-diamine Traditional Name: (6-aminoquinazolin-4-yl)-(3-ethynylphenyl)amine Formula: C16H12N4 MolecularWeight: 260.29328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4/c1-2-11-4-3-5-13(8-11)20-16-14-9-12(17)6-7-15(14)18-10-19-16/h1,3-10H,17H2,(H,18,19,20)