N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-8aH-quinazolin-1-amine

Systemtic Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-8aH-quinazolin-1-amine Openeye Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-8aH-quinazolin-1-amine CAS Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-8aH-quinazolin-1-amine IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-8aH-quinazolin-1-amine Traditional Name: [6,7-bis(2-methoxyethoxy)-8aH-quinazolin-1-yl]-(3-ethynylphenyl)amine Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC2C(=CN=CN2NC3=CC=CC(=C3)C#C)C=C1OCCOC

Isomeric SMILES

COCCOC1=CC2C(=CN=CN2NC3=CC=CC(=C3)C#C)C=C1OCCOC

InChI

InChI=1S/C22H25N3O4/c1-4-17-6-5-7-19(12-17)24-25-16-23-15-18-13-21(28-10-8-26-2)22(14-20(18)25)29-11-9-27-3/h1,5-7,12-16,20,24H,8-11H2,2-3H3