4-(3-methylpiperidin-1-yl)-3-nitro-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzamide

Systemtic Name: 4-(3-methylpiperidin-1-yl)-3-nitro-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzamide Openeye Name: 4-(3-methyl-1-piperidyl)-3-nitro-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzamide CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitro-N-[2-(4-thieno[2,3-d]pyrimidinylamino)ethyl]benzamide IUPAC Name: 4-(3-methylpiperidin-1-yl)-3-nitro-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzamide Traditional Name: 4-(3-methylpiperidino)-3-nitro-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCNC3=C4C=CSC4=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCNC3=C4C=CSC4=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3S/c1-14-3-2-9-26(12-14)17-5-4-15(11-18(17)27(29)30)20(28)23-8-7-22-19-16-6-10-31-21(16)25-13-24-19/h4-6,10-11,13-14H,2-3,7-9,12H2,1H3,(H,23,28)(H,22,24,25)