3-[2-(aziridin-1-yl)-2-oxidanylidene-ethyl]-1-butyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 3-[2-(aziridin-1-yl)-2-oxidanylidene-ethyl]-1-butyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 3-[2-(aziridin-1-yl)-2-oxo-ethyl]-1-butyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 3-[2-(1-aziridinyl)-2-oxoethyl]-1-butyl-5-phenylthieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-[2-(aziridin-1-yl)-2-oxoethyl]-1-butyl-5-phenylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 1-butyl-3-(2-ethylenimino-2-keto-ethyl)-5-phenyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=CS2)C3=CC=CC=C3)C(=O)N(C1=O)CC(=O)N4CC4

Isomeric SMILES

CCCCN1C2=C(C(=CS2)C3=CC=CC=C3)C(=O)N(C1=O)CC(=O)N4CC4

InChI

InChI=1S/C20H21N3O3S/c1-2-3-9-22-19-17(15(13-27-19)14-7-5-4-6-8-14)18(25)23(20(22)26)12-16(24)21-10-11-21/h4-8,13H,2-3,9-12H2,1H3