diethyl 2-azanyl-1,3-dimethyl-4-oxidanylidene-5-(phenylmethyl)pyrrolo[2,3-d]pyridazine-2,3-dicarboxylate

Systemtic Name: diethyl 2-azanyl-1,3-dimethyl-4-oxidanylidene-5-(phenylmethyl)pyrrolo[2,3-d]pyridazine-2,3-dicarboxylate Openeye Name: diethyl 2-amino-5-benzyl-1,3-dimethyl-4-oxo-pyrrolo[2,3-d]pyridazine-2,3-dicarboxylate CAS Name: 2-amino-1,3-dimethyl-4-oxo-5-(phenylmethyl)pyrrolo[2,3-d]pyridazine-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-amino-5-benzyl-1,3-dimethyl-4-oxopyrrolo[2,3-d]pyridazine-2,3-dicarboxylate Traditional Name: 2-amino-5-benzyl-4-keto-1,3-dimethyl-pyrrolo[2,3-d]pyridazine-2,3-dicarboxylic acid diethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=C(C=NN(C2=O)CC3=CC=CC=C3)N(C1(C(=O)OCC)N)C)C

Isomeric SMILES

CCOC(=O)C1(C2=C(C=NN(C2=O)CC3=CC=CC=C3)N(C1(C(=O)OCC)N)C)C

InChI

InChI=1S/C21H26N4O5/c1-5-29-18(27)20(3)16-15(24(4)21(20,22)19(28)30-6-2)12-23-25(17(16)26)13-14-10-8-7-9-11-14/h7-12H,5-6,13,22H2,1-4H3