3-methyl-1-(2-methylpropyl)-6-[(4-nitrophenyl)-oxidanyl-methyl]thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 3-methyl-1-(2-methylpropyl)-6-[(4-nitrophenyl)-oxidanyl-methyl]thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 6-[hydroxy-(4-nitrophenyl)methyl]-1-isobutyl-3-methyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 6-[hydroxy-(4-nitrophenyl)methyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 6-[hydroxy-(4-nitrophenyl)methyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 6-[hydroxy-(4-nitrophenyl)methyl]-1-isobutyl-3-methyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(S2)C(C3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(S2)C(C3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)N(C1=O)C

InChI

InChI=1S/C18H19N3O5S/c1-10(2)9-20-17-13(16(23)19(3)18(20)24)8-14(27-17)15(22)11-4-6-12(7-5-11)21(25)26/h4-8,10,15,22H,9H2,1-3H3