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

Systemtic Name: diethyl-[[4-(isoquinolin-1-ylmethylamino)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: diethyl-[[4-(1-isoquinolylmethylamino)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: diethyl-[[4-(1-isoquinolinylmethylamino)-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl]methyl]ammonium IUPAC Name: diethyl-[[4-(isoquinolin-1-ylmethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: diethyl-[[4-(1-isoquinolylmethylamino)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium Formula: C23H28N5S+ MolecularWeight: 406.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)NCC3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)NCC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C23H27N5S/c1-5-28(6-2)14-20-26-22(21-15(3)16(4)29-23(21)27-20)25-13-19-18-10-8-7-9-17(18)11-12-24-19/h7-12H,5-6,13-14H2,1-4H3,(H,25,26,27)/p+1