N-(3-ethynylphenyl)-6,7-dimethoxy-8aH-quinazolin-1-amine

Systemtic Name: N-(3-ethynylphenyl)-6,7-dimethoxy-8aH-quinazolin-1-amine Openeye Name: N-(3-ethynylphenyl)-6,7-dimethoxy-8aH-quinazolin-1-amine CAS Name: N-(3-ethynylphenyl)-6,7-dimethoxy-8aH-quinazolin-1-amine IUPAC Name: N-(3-ethynylphenyl)-6,7-dimethoxy-8aH-quinazolin-1-amine Traditional Name: (6,7-dimethoxy-8aH-quinazolin-1-yl)-(3-ethynylphenyl)amine Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2C(=CN=CN2NC3=CC=CC(=C3)C#C)C=C1OC

Isomeric SMILES

COC1=CC2C(=CN=CN2NC3=CC=CC(=C3)C#C)C=C1OC

InChI

InChI=1S/C18H17N3O2/c1-4-13-6-5-7-15(8-13)20-21-12-19-11-14-9-17(22-2)18(23-3)10-16(14)21/h1,5-12,16,20H,2-3H3