N-methyl-4-(3-methylpiperidin-1-yl)-3-nitro-N-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide

Systemtic Name: N-methyl-4-(3-methylpiperidin-1-yl)-3-nitro-N-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide Openeye Name: N-methyl-4-(3-methyl-1-piperidyl)-3-nitro-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide CAS Name: N-methyl-4-(3-methyl-1-piperidinyl)-3-nitro-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide IUPAC Name: N-methyl-4-(3-methylpiperidin-1-yl)-3-nitro-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide Traditional Name: N-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-methyl-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N(C)CC3=NC(=O)C4=C(N3)C=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N(C)CC3=NC(=O)C4=C(N3)C=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4S/c1-13-4-3-8-25(11-13)16-6-5-14(10-17(16)26(29)30)21(28)24(2)12-18-22-15-7-9-31-19(15)20(27)23-18/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,22,23,27)