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

Systemtic Name: (E)-but-2-enedioic acid; 2-chloranyl-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine Openeye Name: 2-chloro-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-chloro-4-(1-piperazinyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine IUPAC Name: (E)-but-2-enedioic acid; 2-chloro-4-piperazin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine Traditional Name: 2-chloro-4-piperazino-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine; fumaric acid Formula: C15H19ClN4O4S MolecularWeight: 386.85376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=NC(=N2)Cl)N3CCNCC3)SC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(C(=NC(=N2)Cl)N3CCNCC3)SC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H15ClN4S.C4H4O4/c12-11-14-8-2-1-7-17-9(8)10(15-11)16-5-3-13-4-6-16;5-3(6)1-2-4(7)8/h13H,1-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+