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

Systemtic Name: 3-[2-(aziridin-1-yl)-2-oxidanylidene-ethyl]-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 3-[2-(aziridin-1-yl)-2-oxo-ethyl]-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 3-[2-(1-aziridinyl)-2-oxoethyl]-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-[2-(aziridin-1-yl)-2-oxoethyl]-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 3-(2-ethylenimino-2-keto-ethyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C(=O)CN2C(=O)C3=C(NC2=O)SC=C3C4=CC=CC=C4

Isomeric SMILES

C1CN1C(=O)CN2C(=O)C3=C(NC2=O)SC=C3C4=CC=CC=C4

InChI

InChI=1S/C16H13N3O3S/c20-12(18-6-7-18)8-19-15(21)13-11(10-4-2-1-3-5-10)9-23-14(13)17-16(19)22/h1-5,9H,6-8H2,(H,17,22)