5,6-dimethyl-1-[(3-nitrophenyl)methyl]-3-phenethyl-thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 5,6-dimethyl-1-[(3-nitrophenyl)methyl]-3-phenethyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 5,6-dimethyl-1-[(3-nitrophenyl)methyl]-3-phenethyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 5,6-dimethyl-1-[(3-nitrophenyl)methyl]-3-phenethylthieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 5,6-dimethyl-1-[(3-nitrophenyl)methyl]-3-phenethylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 5,6-dimethyl-1-(3-nitrobenzyl)-3-phenethyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3O4S/c1-15-16(2)31-22-20(15)21(27)24(12-11-17-7-4-3-5-8-17)23(28)25(22)14-18-9-6-10-19(13-18)26(29)30/h3-10,13H,11-12,14H2,1-2H3