4-(2-ethynylcyclohexa-1,3-dien-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline

Systemtic Name: 4-(2-ethynylcyclohexa-1,3-dien-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline Openeye Name: 4-(2-ethynylcyclohexa-1,3-dien-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline CAS Name: 4-(2-ethynyl-1-cyclohexa-1,3-dienyl)-6,7-bis(2-methoxyethoxy)quinazoline IUPAC Name: 4-(2-ethynylcyclohexa-1,3-dien-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline Traditional Name: 4-(2-ethynylcyclohexa-1,3-dien-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)C(=NC=N2)C3=C(C=CCC3)C#C)OCCOC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)C(=NC=N2)C3=C(C=CCC3)C#C)OCCOC

InChI

InChI=1S/C22H24N2O4/c1-4-16-7-5-6-8-17(16)22-18-13-20(27-11-9-25-2)21(28-12-10-26-3)14-19(18)23-15-24-22/h1,5,7,13-15H,6,8-12H2,2-3H3