N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[(1-benzyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-[[1-(phenylmethyl)-4-piperidinyl]amino]-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[(1-benzylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[(1-benzyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C23H30N8O4 MolecularWeight: 482.5355

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C23H30N8O4/c24-19(32)13-25-23(33)18-7-4-10-30(18)22-20(31(34)35)21(26-15-27-22)28-17-8-11-29(12-9-17)14-16-5-2-1-3-6-16/h1-3,5-6,15,17-18H,4,7-14H2,(H2,24,32)(H,25,33)(H,26,27,28)