1,3-diazabicyclo[2.1.0]penta-2,4-diene; 4-[2-(ethylamino)pyrimidin-4-yl]benzamide

Systemtic Name: 1,3-diazabicyclo[2.1.0]penta-2,4-diene; 4-[2-(ethylamino)pyrimidin-4-yl]benzamide Openeye Name: 1,3-diazabicyclo[2.1.0]penta-2,4-diene; 4-[2-(ethylamino)pyrimidin-4-yl]benzamide CAS Name: 1,3-diazabicyclo[2.1.0]penta-2,4-diene; 4-[2-(ethylamino)-4-pyrimidinyl]benzamide IUPAC Name: 1,3-diazabicyclo[2.1.0]penta-2,4-diene; 4-[2-(ethylamino)pyrimidin-4-yl]benzamide Traditional Name: 1,3-diazabicyclo[2.1.0]penta-2,4-diene; 4-[2-(ethylamino)pyrimidin-4-yl]benzamide Formula: C16H16N6O MolecularWeight: 308.33784

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=CC(=N1)C2=CC=C(C=C2)C(=O)N.C1=C2N1C=N2

Isomeric SMILES

CCNC1=NC=CC(=N1)C2=CC=C(C=C2)C(=O)N.C1=C2N1C=N2

InChI

InChI=1S/C13H14N4O.C3H2N2/c1-2-15-13-16-8-7-11(17-13)9-3-5-10(6-4-9)12(14)18;1-3-4-2-5(1)3/h3-8H,2H2,1H3,(H2,14,18)(H,15,16,17);1-2H