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

Systemtic Name: 5,6-dimethyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amine Formula: C17H22N7S+ MolecularWeight: 356.46848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C17H21N7S/c1-11-12(2)25-16-14(11)15(18)21-13(22-16)10-23-6-8-24(9-7-23)17-19-4-3-5-20-17/h3-5H,6-10H2,1-2H3,(H2,18,21,22)/p+1