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

Systemtic Name: 5-methyl-4-(2-methylpropylamino)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 4-(isobutylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile CAS Name: 5-methyl-4-(2-methylpropylamino)-2-(3,4,5-trimethoxyphenyl)-6-thieno[2,3-d]pyrimidinecarbonitrile IUPAC Name: 5-methyl-4-(2-methylpropylamino)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 4-(isobutylamino)-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)NCC(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-11(2)10-23-20-17-12(3)16(9-22)29-21(17)25-19(24-20)13-7-14(26-4)18(28-6)15(8-13)27-5/h7-8,11H,10H2,1-6H3,(H,23,24,25)