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

Systemtic Name: methyl 6-[[6-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]amino]hexanoate Openeye Name: methyl 6-[[6-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]amino]hexanoate CAS Name: 6-[[6-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-nitro-4-pyrimidinyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-nitropyrimidin-4-yl]amino]hexanoate Traditional Name: 6-[[6-[2-[(2-amino-2-keto-ethyl)carbamoyl]pyrrolidino]-5-nitro-pyrimidin-4-yl]amino]hexanoic acid methyl ester Formula: C18H27N7O6 MolecularWeight: 437.45028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N

Isomeric SMILES

COC(=O)CCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N

InChI

InChI=1S/C18H27N7O6/c1-31-14(27)7-3-2-4-8-20-16-15(25(29)30)17(23-11-22-16)24-9-5-6-12(24)18(28)21-10-13(19)26/h11-12H,2-10H2,1H3,(H2,19,26)(H,21,28)(H,20,22,23)