4-[6-cyclopropyl-7-(1-methylpyrazol-4-yl)-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butanoate

Systemtic Name: 4-[6-cyclopropyl-7-(1-methylpyrazol-4-yl)-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butanoate Openeye Name: 4-[6-cyclopropyl-7-(1-methylpyrazol-4-yl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butanoate CAS Name: 4-[6-cyclopropyl-7-(1-methyl-4-pyrazolyl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butanoate IUPAC Name: 4-[6-cyclopropyl-7-(1-methylpyrazol-4-yl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butanoate Traditional Name: 4-[6-cyclopropyl-4-keto-7-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butyrate Formula: C17H18N5O3- MolecularWeight: 340.35652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=C(N(C3=C2NC=NC3=O)CCCC(=O)[O-])C4CC4

Isomeric SMILES

CN1C=C(C=N1)C2=C(N(C3=C2NC=NC3=O)CCCC(=O)[O-])C4CC4

InChI

InChI=1S/C17H19N5O3/c1-21-8-11(7-20-21)13-14-16(17(25)19-9-18-14)22(6-2-3-12(23)24)15(13)10-4-5-10/h7-10H,2-6H2,1H3,(H,23,24)(H,18,19,25)/p-1