4-(tert-butylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: 4-(tert-butylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 4-(tert-butylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile CAS Name: 4-(tert-butylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)-6-thieno[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-(tert-butylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 4-(tert-butylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC(C)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C#N

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC(C)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C#N

InChI

InChI=1S/C21H24N4O3S/c1-11-15(10-22)29-20-16(11)19(25-21(2,3)4)23-18(24-20)12-8-13(26-5)17(28-7)14(9-12)27-6/h8-9H,1-7H3,(H,23,24,25)