4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-azanylpyrazine-2-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-azanylpyrazine-2-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid 4-phthalimidobutyl ester Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=NC=CN=C3N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C17H16N4O4/c18-14-13(19-7-8-20-14)17(24)25-10-4-3-9-21-15(22)11-5-1-2-6-12(11)16(21)23/h1-2,5-8H,3-4,9-10H2,(H2,18,20)