(E)-but-2-enedioic acid; 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

Systemtic Name: (E)-but-2-enedioic acid; 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 5,7-dimethyl-2-(1-piperazinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: (E)-but-2-enedioic acid; 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: 5,7-dimethyl-2-piperazino-5H-pyrrolo[2,3-d]pyrimidin-6-one; fumaric acid Formula: C16H21N5O5 MolecularWeight: 363.36844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CN=C(N=C2N(C1=O)C)N3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1C2=CN=C(N=C2N(C1=O)C)N3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H17N5O.C4H4O4/c1-8-9-7-14-12(17-5-3-13-4-6-17)15-10(9)16(2)11(8)18;5-3(6)1-2-4(7)8/h7-8,13H,3-6H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+