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

Systemtic Name: 3-methyl-1-(2-methylpropyl)-6-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-3-methyl-6-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 3-methyl-1-(2-methylpropyl)-6-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-1-(2-methylpropyl)-6-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-3-methyl-6-(4-nitrobenzyl)thieno[2,3-d]pyrimidine-2,4-quinone Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C18H19N3O4S/c1-11(2)10-20-17-15(16(22)19(3)18(20)23)9-14(26-17)8-12-4-6-13(7-5-12)21(24)25/h4-7,9,11H,8,10H2,1-3H3