N-(isoquinolin-1-ylmethyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(isoquinolin-1-ylmethyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1-isoquinolylmethyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1-isoquinolinylmethyl)-5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(isoquinolin-1-ylmethyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-(1-isoquinolylmethyl)amine Formula: C23H26N5OS+ MolecularWeight: 420.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=NC=CC4=CC=CC=C43)C[NH+]5CCOCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=NC=CC4=CC=CC=C43)C[NH+]5CCOCC5)C

InChI

InChI=1S/C23H25N5OS/c1-15-16(2)30-23-21(15)22(26-20(27-23)14-28-9-11-29-12-10-28)25-13-19-18-6-4-3-5-17(18)7-8-24-19/h3-8H,9-14H2,1-2H3,(H,25,26,27)/p+1