tert-butyl 2-[[6-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-2-methyl-propanoate

Systemtic Name: tert-butyl 2-[[6-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-2-methyl-propanoate Openeye Name: tert-butyl 2-[[6-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-2-methyl-propanoate CAS Name: 2-[[6-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-nitro-4-pyrimidinyl]amino]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-nitropyrimidin-4-yl]amino]-2-methylpropanoate Traditional Name: 2-[[6-[2-[(2-amino-2-keto-ethyl)carbamoyl]pyrrolidino]-5-nitro-pyrimidin-4-yl]amino]-2-methyl-propionic acid tert-butyl ester Formula: C19H29N7O6 MolecularWeight: 451.47686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N

InChI

InChI=1S/C19H29N7O6/c1-18(2,3)32-17(29)19(4,5)24-14-13(26(30)31)15(23-10-22-14)25-8-6-7-11(25)16(28)21-9-12(20)27/h10-11H,6-9H2,1-5H3,(H2,20,27)(H,21,28)(H,22,23,24)