[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C15H15N7O3S MolecularWeight: 373.3897

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C15H15N7O3S/c1-19-13-10(8-18-19)14(17-9-16-13)20-4-6-21(7-5-20)15(23)11-2-3-12(26-11)22(24)25/h2-3,8-9H,4-7H2,1H3