5-methyl-4-(3-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: 5-methyl-4-(3-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 5-methyl-4-(3-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile CAS Name: 5-methyl-4-(3-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-6-thieno[2,3-d]pyrimidinecarbonitrile IUPAC Name: 5-methyl-4-(3-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 5-methyl-4-(3-methylpiperazino)-2-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-6-carbonitrile Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C3C(=C(SC3=NC(=N2)C4=CC(=C(C(=C4)OC)OC)OC)C#N)C

Isomeric SMILES

CC1CN(CCN1)C2=C3C(=C(SC3=NC(=N2)C4=CC(=C(C(=C4)OC)OC)OC)C#N)C

InChI

InChI=1S/C22H25N5O3S/c1-12-11-27(7-6-24-12)21-18-13(2)17(10-23)31-22(18)26-20(25-21)14-8-15(28-3)19(30-5)16(9-14)29-4/h8-9,12,24H,6-7,11H2,1-5H3