[5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium

Systemtic Name: [5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium Openeye Name: [5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium CAS Name: [5,6-dimethyl-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2-thieno[2,3-d]pyrimidinyl]methyl-diethylammonium IUPAC Name: [5,6-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium Traditional Name: [5,6-dimethyl-4-[4-(2-pyrimidyl)piperazino]thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium Formula: C21H30N7S+ MolecularWeight: 412.5748

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H29N7S/c1-5-26(6-2)14-17-24-19(18-15(3)16(4)29-20(18)25-17)27-10-12-28(13-11-27)21-22-8-7-9-23-21/h7-9H,5-6,10-14H2,1-4H3/p+1