N-(3-ethynylphenyl)-6,7-dipropoxy-quinazolin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-6,7-dipropoxy-quinazolin-4-amine Openeye Name: N-(3-ethynylphenyl)-6,7-dipropoxy-quinazolin-4-amine CAS Name: N-(3-ethynylphenyl)-6,7-dipropoxy-4-quinazolinamine IUPAC Name: N-(3-ethynylphenyl)-6,7-dipropoxyquinazolin-4-amine Traditional Name: (6,7-dipropoxyquinazolin-4-yl)-(3-ethynylphenyl)amine Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCC

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCC

InChI

InChI=1S/C22H23N3O2/c1-4-10-26-20-13-18-19(14-21(20)27-11-5-2)23-15-24-22(18)25-17-9-7-8-16(6-3)12-17/h3,7-9,12-15H,4-5,10-11H2,1-2H3,(H,23,24,25)