5-isocyanato-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 5-isocyanato-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-5-isocyanato-3-methyl-6-(1-naphthylmethyl)thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 5-isocyanato-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 5-isocyanato-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-5-isocyanato-3-methyl-6-(1-naphthylmethyl)thieno[2,3-d]pyrimidine-2,4-quinone Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC4=CC=CC=C43)N=C=O)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC4=CC=CC=C43)N=C=O)C(=O)N(C1=O)C

InChI

InChI=1S/C23H21N3O3S/c1-14(2)12-26-22-19(21(28)25(3)23(26)29)20(24-13-27)18(30-22)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14H,11-12H2,1-3H3