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

Systemtic Name: 4-(cyclobutylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 4-(cyclobutylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile CAS Name: 4-(cyclobutylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)-6-thieno[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-(cyclobutylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 4-(cyclobutylamino)-5-methyl-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3CCC3)C4=CC(=C(C(=C4)OC)OC)OC)C#N

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3CCC3)C4=CC(=C(C(=C4)OC)OC)OC)C#N

InChI

InChI=1S/C21H22N4O3S/c1-11-16(10-22)29-21-17(11)20(23-13-6-5-7-13)24-19(25-21)12-8-14(26-2)18(28-4)15(9-12)27-3/h8-9,13H,5-7H2,1-4H3,(H,23,24,25)