3,5-bis(azanyl)-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one

Systemtic Name: 3,5-bis(azanyl)-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Openeye Name: 3,5-diamino-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one CAS Name: 3,5-diamino-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one IUPAC Name: 3,5-diamino-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Traditional Name: 3,5-diamino-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Formula: C11H10N6O MolecularWeight: 242.2367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3=NC(=O)N(C=C3C(=N2)N)N

Isomeric SMILES

C1=CC=C2C(=C1)NC3=NC(=O)N(C=C3C(=N2)N)N

InChI

InChI=1S/C11H10N6O/c12-9-6-5-17(13)11(18)16-10(6)15-8-4-2-1-3-7(8)14-9/h1-5H,13H2,(H2,12,14)(H,15,16,18)