(4Z)-2-(5-chloranylpyridin-2-yl)-4-[(7H-purin-6-ylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-2-(5-chloranylpyridin-2-yl)-4-[(7H-purin-6-ylamino)methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-2-(5-chloro-2-pyridyl)-4-[(7H-purin-6-ylamino)methylene]isoquinoline-1,3-dione CAS Name: (4Z)-2-(5-chloro-2-pyridinyl)-4-[(7H-purin-6-ylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-2-(5-chloropyridin-2-yl)-4-[(7H-purin-6-ylamino)methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-2-(5-chloro-2-pyridyl)-4-[(7H-purin-6-ylamino)methylene]isoquinoline-1,3-quinone Formula: C20H12ClN7O2 MolecularWeight: 417.80798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=NC=NC4=C3NC=N4)C(=O)N(C2=O)C5=NC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C/NC3=NC=NC4=C3NC=N4)/C(=O)N(C2=O)C5=NC=C(C=C5)Cl

InChI

InChI=1S/C20H12ClN7O2/c21-11-5-6-15(22-7-11)28-19(29)13-4-2-1-3-12(13)14(20(28)30)8-23-17-16-18(25-9-24-16)27-10-26-17/h1-10H,(H2,23,24,25,26,27)/b14-8-