N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; naphthalene-2-sulfonic acid

Systemtic Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; naphthalene-2-sulfonic acid Openeye Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; naphthalene-2-sulfonic acid CAS Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine; 2-naphthalenesulfonic acid IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; naphthalene-2-sulfonic acid Traditional Name: [6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-(3-ethynylphenyl)amine; naphthalene-2-sulfonic acid Formula: C32H31N3O7S MolecularWeight: 601.66944

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C22H23N3O4.C10H8O3S/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1-7H,(H,11,12,13)