6-ethynyl-N-[4-(3-methoxyphenoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine hydrochloride

Systemtic Name: 6-ethynyl-N-[4-(3-methoxyphenoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine hydrochloride Openeye Name: 6-ethynyl-N-[4-(3-methoxyphenoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine hydrochloride CAS Name: 6-ethynyl-N-[4-(3-methoxyphenoxy)phenyl]-4-thieno[3,2-d]pyrimidinamine hydrochloride IUPAC Name: 6-ethynyl-N-[4-(3-methoxyphenoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine hydrochloride Traditional Name: (6-ethynylthieno[3,2-d]pyrimidin-4-yl)-[4-(3-methoxyphenoxy)phenyl]amine hydrochloride Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=CC=C(C=C2)NC3=NC=NC4=C3SC(=C4)C#C.Cl

Isomeric SMILES

COC1=CC=CC(=C1)OC2=CC=C(C=C2)NC3=NC=NC4=C3SC(=C4)C#C.Cl

InChI

InChI=1S/C21H15N3O2S.ClH/c1-3-18-12-19-20(27-18)21(23-13-22-19)24-14-7-9-15(10-8-14)26-17-6-4-5-16(11-17)25-2;/h1,4-13H,2H3,(H,22,23,24);1H