2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]amino]ethyl-diethyl-ammonium Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=C(C2=C(N=CN=C2S1)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=C(C2=C(N=CN=C2S1)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C23H29N5OS/c1-4-27(5-2)13-11-24-22(29)20-16(3)19-21(25-15-26-23(19)30-20)28-12-10-17-8-6-7-9-18(17)14-28/h6-9,15H,4-5,10-14H2,1-3H3,(H,24,29)/p+1