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

Systemtic Name: 5-azanyl-3-(phenylmethyl)-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Openeye Name: 5-amino-3-benzyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one CAS Name: 5-amino-3-(phenylmethyl)-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one IUPAC Name: 5-amino-3-benzyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Traditional Name: 5-amino-3-benzyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Formula: C18H15N5O MolecularWeight: 317.3446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C3C(=NC4=CC=CC=C4NC3=NC2=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C3C(=NC4=CC=CC=C4NC3=NC2=O)N

InChI

InChI=1S/C18H15N5O/c19-16-13-11-23(10-12-6-2-1-3-7-12)18(24)22-17(13)21-15-9-5-4-8-14(15)20-16/h1-9,11H,10H2,(H2,19,20)(H,21,22,24)