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

Systemtic Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; methanesulfonic acid; hydrate Openeye Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; methanesulfonic acid; hydrate CAS Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine; methanesulfonic acid; hydrate IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; methanesulfonic acid; hydrate Traditional Name: [6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-(3-ethynylphenyl)amine; mesylic acid; hydrate Formula: C23H29N3O8S MolecularWeight: 507.55666

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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.CS(=O)(=O)O.O

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4.CH4O3S.H2O/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;1-5(2,3)4;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H3,(H,2,3,4);1H2