diethyl 1,6-bis(aminocarbonylamino)-6a-azanyl-3a-cyano-2,5-dimethyl-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate

Systemtic Name: diethyl 1,6-bis(aminocarbonylamino)-6a-azanyl-3a-cyano-2,5-dimethyl-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate Openeye Name: diethyl 6a-amino-3a-cyano-2,5-dimethyl-1,6-diureido-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate CAS Name: 6a-amino-1,6-bis(carbamoylamino)-3a-cyano-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6a-amino-1,6-bis(carbamoylamino)-3a-cyano-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate Traditional Name: 6a-amino-3a-cyano-2,5-dimethyl-1,6-diureido-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylic acid diethyl ester Formula: C17H24N8O6 MolecularWeight: 436.42246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)N)C)C(=O)OCC)C#N)N)NC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)N)C)C(=O)OCC)C#N)N)NC(=O)N)C

InChI

InChI=1S/C17H24N8O6/c1-5-30-12(26)10-8(3)24(22-14(19)28)17(21)16(10,7-18)11(13(27)31-6-2)9(4)25(17)23-15(20)29/h5-6,21H2,1-4H3,(H3,19,22,28)(H3,20,23,29)