(3E)-1-prop-2-enyl-3-(2-pyrimidin-2-yl-3H-isoindol-1-ylidene)urea

Systemtic Name: (3E)-1-prop-2-enyl-3-(2-pyrimidin-2-yl-3H-isoindol-1-ylidene)urea Openeye Name: (3E)-1-allyl-3-(2-pyrimidin-2-ylisoindolin-1-ylidene)urea CAS Name: (3E)-1-prop-2-enyl-3-[2-(2-pyrimidinyl)-3H-isoindol-1-ylidene]urea IUPAC Name: (3E)-1-prop-2-enyl-3-(2-pyrimidin-2-yl-3H-isoindol-1-ylidene)urea Traditional Name: (3E)-1-allyl-3-[2-(2-pyrimidyl)isoindolin-1-ylidene]urea Formula: C16H15N5O MolecularWeight: 293.3232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N=C1C2=CC=CC=C2CN1C3=NC=CC=N3

Isomeric SMILES

C=CCNC(=O)/N=C/1\C2=CC=CC=C2CN1C3=NC=CC=N3

InChI

InChI=1S/C16H15N5O/c1-2-8-19-16(22)20-14-13-7-4-3-6-12(13)11-21(14)15-17-9-5-10-18-15/h2-7,9-10H,1,8,11H2,(H,19,22)/b20-14+