ethyl 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C20H21N7O5 MolecularWeight: 439.42464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O5/c1-3-32-20(29)14-8-13(9-15(10-14)27(30)31)19(28)26-6-4-25(5-7-26)18-16-11-23-24(2)17(16)21-12-22-18/h8-12H,3-7H2,1-2H3