methyl 3-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]propanoate

Systemtic Name: methyl 3-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]propanoate Openeye Name: methyl 3-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]propanoate CAS Name: 3-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]amino]propanoate Traditional Name: 3-[[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]amino]propionic acid methyl ester Formula: C11H15N5O4 MolecularWeight: 281.2679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1=NC=C(C(=N1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCNC1=NC=C(C(=N1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C11H15N5O4/c1-20-9(17)4-5-12-11-13-6-8(16(18)19)10(15-11)14-7-2-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15)