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

Systemtic Name: butyl 2-[[6-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: butyl 2-[[6-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-nitro-4-pyrimidinyl]amino]acetic acid butyl ester IUPAC Name: butyl 2-[[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-[2-[(2-amino-2-keto-ethyl)carbamoyl]pyrrolidino]-5-nitro-pyrimidin-4-yl]amino]acetic acid butyl ester Formula: C17H25N7O6 MolecularWeight: 423.4237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N

Isomeric SMILES

CCCCOC(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2C(=O)NCC(=O)N

InChI

InChI=1S/C17H25N7O6/c1-2-3-7-30-13(26)9-19-15-14(24(28)29)16(22-10-21-15)23-6-4-5-11(23)17(27)20-8-12(18)25/h10-11H,2-9H2,1H3,(H2,18,25)(H,20,27)(H,19,21,22)