N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[4-(3,4-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[4-(3,4-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C23H30N8O4 MolecularWeight: 482.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N4CCCC4C(=O)NCC(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N4CCCC4C(=O)NCC(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C23H30N8O4/c1-15-5-6-17(12-16(15)2)28-8-10-29(11-9-28)21-20(31(34)35)22(27-14-26-21)30-7-3-4-18(30)23(33)25-13-19(24)32/h5-6,12,14,18H,3-4,7-11,13H2,1-2H3,(H2,24,32)(H,25,33)