1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-3-phenylthieno[3,2-d]pyrimidine-2,4-dione IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylthieno[3,2-d]pyrimidine-2,4-dione Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)SC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)SC=C3

InChI

InChI=1S/C20H21N3O3S/c24-17(21-11-6-1-2-7-12-21)14-22-16-10-13-27-18(16)19(25)23(20(22)26)15-8-4-3-5-9-15/h3-5,8-10,13H,1-2,6-7,11-12,14H2