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

Systemtic Name: 5-azanyl-3-butyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Openeye Name: 5-amino-3-butyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one CAS Name: 5-amino-3-butyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one IUPAC Name: 5-amino-3-butyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Traditional Name: 5-amino-3-butyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Formula: C15H17N5O MolecularWeight: 283.32838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C2C(=NC3=CC=CC=C3NC2=NC1=O)N

Isomeric SMILES

CCCCN1C=C2C(=NC3=CC=CC=C3NC2=NC1=O)N

InChI

InChI=1S/C15H17N5O/c1-2-3-8-20-9-10-13(16)17-11-6-4-5-7-12(11)18-14(10)19-15(20)21/h4-7,9H,2-3,8H2,1H3,(H2,16,17)(H,18,19,21)