[4-[(4-acetamidophenyl)amino]-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium

Systemtic Name: [4-[(4-acetamidophenyl)amino]-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium Openeye Name: [4-(4-acetamidoanilino)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium CAS Name: [4-(4-acetamidoanilino)-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl]methyl-diethylammonium IUPAC Name: [4-(4-acetamidoanilino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium Traditional Name: [4-(4-acetamidoanilino)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium Formula: C21H28N5OS+ MolecularWeight: 398.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H27N5OS/c1-6-26(7-2)12-18-24-20(19-13(3)14(4)28-21(19)25-18)23-17-10-8-16(9-11-17)22-15(5)27/h8-11H,6-7,12H2,1-5H3,(H,22,27)(H,23,24,25)/p+1