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

Systemtic Name: (4Z)-2-(3-chlorophenyl)-4-[(7H-purin-6-ylamino)methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-2-(3-chlorophenyl)-4-[(7H-purin-6-ylamino)methylene]isoquinoline-1,3-dione CAS Name: (4Z)-2-(3-chlorophenyl)-4-[(7H-purin-6-ylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-2-(3-chlorophenyl)-4-[(7H-purin-6-ylamino)methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-2-(3-chlorophenyl)-4-[(7H-purin-6-ylamino)methylene]isoquinoline-1,3-quinone Formula: C21H13ClN6O2 MolecularWeight: 416.81992

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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=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClN6O2/c22-12-4-3-5-13(8-12)28-20(29)15-7-2-1-6-14(15)16(21(28)30)9-23-18-17-19(25-10-24-17)27-11-26-18/h1-11H,(H2,23,24,25,26,27)/b16-9-