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

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

CCCCNC1=C2C(=C(SC2=NC(=N1)C3=CC(=C(C(=C3)OC)OC)OC)C#N)C

Isomeric SMILES

CCCCNC1=C2C(=C(SC2=NC(=N1)C3=CC(=C(C(=C3)OC)OC)OC)C#N)C

InChI

InChI=1S/C21H24N4O3S/c1-6-7-8-23-20-17-12(2)16(11-22)29-21(17)25-19(24-20)13-9-14(26-3)18(28-5)15(10-13)27-4/h9-10H,6-8H2,1-5H3,(H,23,24,25)