11-[[2,4-bis(azanyl)pteridin-6-yl]methyl]benzo[b][1]benzazepin-3-ol

Systemtic Name: 11-[[2,4-bis(azanyl)pteridin-6-yl]methyl]benzo[b][1]benzazepin-3-ol Openeye Name: 11-[(2,4-diaminopteridin-6-yl)methyl]benzo[b][1]benzazepin-3-ol CAS Name: 11-[(2,4-diamino-6-pteridinyl)methyl]-3-benzo[b][1]benzazepinol IUPAC Name: 11-[(2,4-diaminopteridin-6-yl)methyl]benzo[b][1]benzazepin-3-ol Traditional Name: 11-[(2,4-diaminopteridin-6-yl)methyl]benzo[b][1]benzazepin-3-ol Formula: C21H17N7O MolecularWeight: 383.40598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(N2CC4=CN=C5C(=N4)C(=NC(=N5)N)N)C=CC(=C3)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(N2CC4=CN=C5C(=N4)C(=NC(=N5)N)N)C=CC(=C3)O

InChI

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