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

Systemtic Name: methyl 2-[[6-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]amino]-2-methyl-propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H23N7O6 MolecularWeight: 409.39712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7O6/c1-16(2,15(26)29-3)21-12-11(23(27)28)13(20-8-19-12)22-6-4-5-9(22)14(25)18-7-10(17)24/h8-9H,4-7H2,1-3H3,(H2,17,24)(H,18,25)(H,19,20,21)