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

Systemtic Name: N-(2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(2-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(4-keto-2-methyl-thieno[2,3-d]pyrimidin-3-yl)-3-nitro-4-piperidino-benzamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CS2)C(=O)N1NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=CS2)C(=O)N1NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S/c1-12-20-18-14(7-10-29-18)19(26)23(12)21-17(25)13-5-6-15(16(11-13)24(27)28)22-8-3-2-4-9-22/h5-7,10-11H,2-4,8-9H2,1H3,(H,21,25)