N-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-4-piperidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N5O4S/c1-12-17-19(25-9-5-4-6-10-25)22-13(2)23-21(17)31-18(12)20(27)24-15-11-14(26(28)29)7-8-16(15)30-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,24,27)