5-[5-(1H-imidazol-5-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[5-(1H-imidazol-5-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile Openeye Name: 5-[5-(1H-imidazol-5-yl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile CAS Name: 5-[5-(1H-imidazol-5-yl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]-2-thiophenecarbonitrile IUPAC Name: 5-[5-(1H-imidazol-5-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile Traditional Name: 5-[5-(1H-imidazol-5-yl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile Formula: C19H15N9O2S MolecularWeight: 433.4465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1[N+](=O)[O-])NCCNC2=NC=C(C(=N2)C3=CC=C(S3)C#N)C4=CN=CN4

Isomeric SMILES

C1=CC(=NC=C1[N+](=O)[O-])NCCNC2=NC=C(C(=N2)C3=CC=C(S3)C#N)C4=CN=CN4

InChI

InChI=1S/C19H15N9O2S/c20-7-13-2-3-16(31-13)18-14(15-10-21-11-26-15)9-25-19(27-18)23-6-5-22-17-4-1-12(8-24-17)28(29)30/h1-4,8-11H,5-6H2,(H,21,26)(H,22,24)(H,23,25,27)