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

Systemtic Name: [4-[(4-aminocarbonylphenyl)amino]-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium Openeye Name: [4-(4-carbamoylanilino)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium CAS Name: [4-(4-carbamoylanilino)-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl]methyl-diethylammonium IUPAC Name: [4-(4-carbamoylanilino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium Traditional Name: [4-(4-carbamoylanilino)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium Formula: C20H26N5OS+ MolecularWeight: 384.51834

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5OS/c1-5-25(6-2)11-16-23-19(17-12(3)13(4)27-20(17)24-16)22-15-9-7-14(8-10-15)18(21)26/h7-10H,5-6,11H2,1-4H3,(H2,21,26)(H,22,23,24)/p+1