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

Systemtic Name: dimethyl 1,6-bis(aminocarbonylamino)-6a-azanyl-3a-cyano-2,5-dimethyl-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C15H20N8O6 MolecularWeight: 408.3693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2(C(=C(N(C2(N1NC(=O)N)N)NC(=O)N)C)C(=O)OC)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C2(C(=C(N(C2(N1NC(=O)N)N)NC(=O)N)C)C(=O)OC)C#N)C(=O)OC

InChI

InChI=1S/C15H20N8O6/c1-6-8(10(24)28-3)14(5-16)9(11(25)29-4)7(2)23(21-13(18)27)15(14,19)22(6)20-12(17)26/h19H2,1-4H3,(H3,17,20,26)(H3,18,21,27)