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

Systemtic Name: (Z)-but-2-enedioic acid; 2-(dimethylamino)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: 2-(dimethylamino)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-(dimethylamino)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: (Z)-but-2-enedioic acid; 2-(dimethylamino)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: 2-(dimethylamino)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one; maleic acid Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O.C4H4O4/c1-12(2)9-10-5-6-4-7(14)13(3)8(6)11-9;5-3(6)1-2-4(7)8/h5H,4H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-