(E)-but-2-enedioic acid; 2-piperazin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine

Systemtic Name: (E)-but-2-enedioic acid; 2-piperazin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine Openeye Name: fumaric acid; 2-piperazin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine CAS Name: (E)-2-butenedioic acid; 2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine IUPAC Name: (E)-but-2-enedioic acid; 2-piperazin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine Traditional Name: fumaric acid; 2-piperazino-4-pyrrolidino-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine Formula: C19H27N5O4S MolecularWeight: 421.51378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2SCCC3)N4CCNCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2SCCC3)N4CCNCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H23N5S.C4H4O4/c1-2-8-19(7-1)14-13-12(4-3-11-21-13)17-15(18-14)20-9-5-16-6-10-20;5-3(6)1-2-4(7)8/h16H,1-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+