5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2-(1-pyrrolidinylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-[4-(2-pyrimidyl)piperazino]-2-(pyrrolidinomethyl)thieno[2,3-d]pyrimidine Formula: C21H27N7S MolecularWeight: 409.55098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=NC=CC=N4)CN5CCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=NC=CC=N4)CN5CCCC5)C

InChI

InChI=1S/C21H27N7S/c1-15-16(2)29-20-18(15)19(24-17(25-20)14-26-8-3-4-9-26)27-10-12-28(13-11-27)21-22-6-5-7-23-21/h5-7H,3-4,8-14H2,1-2H3