(Z)-but-2-enedioic acid; 7-methyl-2-(4-methylpiperazin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

Systemtic Name: (Z)-but-2-enedioic acid; 7-methyl-2-(4-methylpiperazin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: maleic acid; 7-methyl-2-(4-methylpiperazin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: (Z)-2-butenedioic acid; 7-methyl-2-(4-methyl-1-piperazinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: (Z)-but-2-enedioic acid; 7-methyl-2-(4-methylpiperazin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: maleic acid; 7-methyl-2-(4-methylpiperazino)-5H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C16H21N5O5 MolecularWeight: 363.36844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C12H17N5O.C4H4O4/c1-15-3-5-17(6-4-15)12-13-8-9-7-10(18)16(2)11(9)14-12;5-3(6)1-2-4(7)8/h8H,3-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-