methyl 2-[methyl-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]amino]ethanoate

Systemtic Name: methyl 2-[methyl-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]amino]ethanoate Openeye Name: methyl 2-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[methyl-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[6-(benzylamino)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid methyl ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CN(CC(=O)OC)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C15H17N5O4/c1-19(9-12(21)24-2)15-13(20(22)23)14(17-10-18-15)16-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17,18)