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

Systemtic Name: 5-methyl-6-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3-propyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-propyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-6-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-3-propyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-propylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-propyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N5O4S MolecularWeight: 441.50342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N5O4S/c1-3-8-25-13-22-19-17(20(25)27)14(2)18(31-19)21(28)24-11-9-23(10-12-24)15-4-6-16(7-5-15)26(29)30/h4-7,13H,3,8-12H2,1-2H3