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

Systemtic Name: 5-azanyl-3-prop-2-enyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Openeye Name: 3-allyl-5-amino-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one CAS Name: 5-amino-3-prop-2-enyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one IUPAC Name: 5-amino-3-prop-2-enyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Traditional Name: 3-allyl-5-amino-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Formula: C14H13N5O MolecularWeight: 267.28592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C2C(=NC3=CC=CC=C3NC2=NC1=O)N

Isomeric SMILES

C=CCN1C=C2C(=NC3=CC=CC=C3NC2=NC1=O)N

InChI

InChI=1S/C14H13N5O/c1-2-7-19-8-9-12(15)16-10-5-3-4-6-11(10)17-13(9)18-14(19)20/h2-6,8H,1,7H2,(H2,15,16)(H,17,18,20)