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

Systemtic Name: (4Z)-2-(3,4-dimethylphenyl)-4-[(7H-purin-6-ylamino)methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-2-(3,4-dimethylphenyl)-4-[(7H-purin-6-ylamino)methylene]isoquinoline-1,3-dione CAS Name: (4Z)-2-(3,4-dimethylphenyl)-4-[(7H-purin-6-ylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-2-(3,4-dimethylphenyl)-4-[(7H-purin-6-ylamino)methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-2-(3,4-dimethylphenyl)-4-[(7H-purin-6-ylamino)methylene]isoquinoline-1,3-quinone Formula: C23H18N6O2 MolecularWeight: 410.42802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC=NC5=C4NC=N5)C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C/NC4=NC=NC5=C4NC=N5)/C2=O)C

InChI

InChI=1S/C23H18N6O2/c1-13-7-8-15(9-14(13)2)29-22(30)17-6-4-3-5-16(17)18(23(29)31)10-24-20-19-21(26-11-25-19)28-12-27-20/h3-12H,1-2H3,(H2,24,25,26,27,28)/b18-10-