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

Systemtic Name: 5-methyl-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-6-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4S/c1-11-14-16(24)19-10-20-17(14)28-15(11)18(25)22-8-6-21(7-9-22)12-2-4-13(5-3-12)23(26)27/h2-5,10H,6-9H2,1H3,(H,19,20,24)