(E)-but-2-enedioic acid; 5-methyl-N4-propan-2-yl-N2-propyl-thieno[3,4-d]pyrimidine-2,4-diamine

Systemtic Name: (E)-but-2-enedioic acid; 5-methyl-N4-propan-2-yl-N2-propyl-thieno[3,4-d]pyrimidine-2,4-diamine Openeye Name: fumaric acid; N4-isopropyl-5-methyl-N2-propyl-thieno[3,4-d]pyrimidine-2,4-diamine CAS Name: (E)-2-butenedioic acid; 5-methyl-N4-propan-2-yl-N2-propylthieno[3,4-d]pyrimidine-2,4-diamine IUPAC Name: (E)-but-2-enedioic acid; 5-methyl-4-N-propan-2-yl-2-N-propylthieno[3,4-d]pyrimidine-2,4-diamine Traditional Name: fumaric acid; isopropyl-[5-methyl-2-(propylamino)thieno[3,4-d]pyrimidin-4-yl]amine Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=CSC(=C2C(=N1)NC(C)C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNC1=NC2=CSC(=C2C(=N1)NC(C)C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H20N4S.C4H4O4/c1-5-6-14-13-16-10-7-18-9(4)11(10)12(17-13)15-8(2)3;5-3(6)1-2-4(7)8/h7-8H,5-6H2,1-4H3,(H2,14,15,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+