3-(isoquinolin-5-ylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(isoquinolin-5-ylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(5-isoquinolylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(5-isoquinolinylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(isoquinolin-5-ylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(5-isoquinolylamino)-4-(methylamino)cyclobut-3-ene-1,2-quinone Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)C1=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CNC1=C(C(=O)C1=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C14H11N3O2/c1-15-11-12(14(19)13(11)18)17-10-4-2-3-8-7-16-6-5-9(8)10/h2-7,15,17H,1H3