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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-methyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-methyl-4-(4-methylpiperazino)thieno[2,3-d]pyrimidine-6-carbonitrile Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C)C4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C)C4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C20H19N5O2S/c1-12-16(10-21)28-20-17(12)19(25-7-5-24(2)6-8-25)22-18(23-20)13-3-4-14-15(9-13)27-11-26-14/h3-4,9H,5-8,11H2,1-2H3