4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-6-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-6-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-6-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(6-nitro-3-pyridyl)piperazino]-6-phenyl-thieno[2,3-d]pyrimidine Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C21H18N6O2S/c28-27(29)19-7-6-16(13-22-19)25-8-10-26(11-9-25)20-17-12-18(15-4-2-1-3-5-15)30-21(17)24-14-23-20/h1-7,12-14H,8-11H2