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

Systemtic Name: 3,5-dimethyl-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5-dimethyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5-dimethyl-6-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5-dimethyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5-dimethyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]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)N(C=N2)C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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