2,5-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2,5-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2,5-dimethyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2,5-dimethyl-6-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2,5-dimethyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2,5-dimethyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S/c1-11-15-17(25)20-12(2)21-18(15)29-16(11)19(26)23-9-7-22(8-10-23)13-3-5-14(6-4-13)24(27)28/h3-6H,7-10H2,1-2H3,(H,20,21,25)