11-[[2,4-bis(azanyl)pteridin-6-yl]methyl]benzo[b][1]benzazepin-4-ol

Systemtic Name: 11-[[2,4-bis(azanyl)pteridin-6-yl]methyl]benzo[b][1]benzazepin-4-ol Openeye Name: 11-[(2,4-diaminopteridin-6-yl)methyl]benzo[b][1]benzazepin-4-ol CAS Name: 11-[(2,4-diamino-6-pteridinyl)methyl]-4-benzo[b][1]benzazepinol IUPAC Name: 11-[(2,4-diaminopteridin-6-yl)methyl]benzo[b][1]benzazepin-4-ol Traditional Name: 11-[(2,4-diaminopteridin-6-yl)methyl]benzo[b][1]benzazepin-4-ol Formula: C21H17N7O MolecularWeight: 383.40598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(N2CC4=CN=C5C(=N4)C(=NC(=N5)N)N)C=CC=C3O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(N2CC4=CN=C5C(=N4)C(=NC(=N5)N)N)C=CC=C3O

InChI

InChI=1S/C21H17N7O/c22-19-18-20(27-21(23)26-19)24-10-13(25-18)11-28-15-5-2-1-4-12(15)8-9-14-16(28)6-3-7-17(14)29/h1-10,29H,11H2,(H4,22,23,24,26,27)