4-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)C3=CC=C(C=C3)C(=O)NCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)C3=CC=C(C=C3)C(=O)NCC[NH+]4CCOCC4)C

InChI

InChI=1S/C21H25N5O2S/c1-13-14(2)29-21-17(13)18(22)24-19(25-21)15-3-5-16(6-4-15)20(27)23-7-8-26-9-11-28-12-10-26/h3-6H,7-12H2,1-2H3,(H,23,27)(H2,22,24,25)/p+1