2-[3-(aziridin-1-yl)-2-oxidanyl-propyl]pyrrolo[3,4-g]isoquinoline-4,9-dione

Systemtic Name: 2-[3-(aziridin-1-yl)-2-oxidanyl-propyl]pyrrolo[3,4-g]isoquinoline-4,9-dione Openeye Name: 2-[3-(aziridin-1-yl)-2-hydroxy-propyl]pyrrolo[3,4-g]isoquinoline-4,9-dione CAS Name: 2-[3-(1-aziridinyl)-2-hydroxypropyl]pyrrolo[3,4-g]isoquinoline-4,9-dione IUPAC Name: 2-[3-(aziridin-1-yl)-2-hydroxypropyl]pyrrolo[3,4-g]isoquinoline-4,9-dione Traditional Name: 2-(3-ethylenimino-2-hydroxy-propyl)pyrrol[3,4-g]isoquinoline-4,9-quinone Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CC(CN2C=C3C(=C2)C(=O)C4=C(C3=O)C=CN=C4)O

Isomeric SMILES

C1CN1CC(CN2C=C3C(=C2)C(=O)C4=C(C3=O)C=CN=C4)O

InChI

InChI=1S/C16H15N3O3/c20-10(6-18-3-4-18)7-19-8-13-14(9-19)16(22)12-5-17-2-1-11(12)15(13)21/h1-2,5,8-10,20H,3-4,6-7H2