3-[4-azanyl-6-(2-methoxyphenyl)carbonyl-thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-azanyl-6-(2-methoxyphenyl)carbonyl-thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[(2-methoxyphenyl)-oxomethyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-(2-methoxybenzoyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-(4-amino-6-o-anisoyl-thieno[2,3-d]pyrimidin-2-yl)benzonitrile Formula: C21H14N4O2S MolecularWeight: 386.42646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N

Isomeric SMILES

COC1=CC=CC=C1C(=O)C2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N

InChI

InChI=1S/C21H14N4O2S/c1-27-16-8-3-2-7-14(16)18(26)17-10-15-19(23)24-20(25-21(15)28-17)13-6-4-5-12(9-13)11-22/h2-10H,1H3,(H2,23,24,25)