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

Systemtic Name: (Z)-but-2-enedioic acid; 7-methyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: maleic acid; 7-methyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: (Z)-2-butenedioic acid; 7-methyl-2-(1-piperazinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: (Z)-but-2-enedioic acid; 7-methyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: maleic acid; 7-methyl-2-piperazino-5H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C15H19N5O5 MolecularWeight: 349.34186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC2=CN=C(N=C21)N3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C(=O)CC2=CN=C(N=C21)N3CCNCC3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C11H15N5O.C4H4O4/c1-15-9(17)6-8-7-13-11(14-10(8)15)16-4-2-12-3-5-16;5-3(6)1-2-4(7)8/h7,12H,2-6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-