2-[(E)-4-[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]but-3-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(E)-4-[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]but-3-enyl]isoindole-1,3-dione Openeye Name: 2-[(E)-4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]but-3-enyl]isoindoline-1,3-dione CAS Name: 2-[(E)-4-[2,6-diamino-5-(4-chlorophenyl)-4-pyrimidinyl]but-3-enyl]isoindole-1,3-dione IUPAC Name: 2-[(E)-4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]but-3-enyl]isoindole-1,3-dione Traditional Name: 2-[(E)-4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]but-3-enyl]isoindoline-1,3-quinone Formula: C22H18ClN5O2 MolecularWeight: 419.86362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC=CC3=C(C(=NC(=N3)N)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC/C=C/C3=C(C(=NC(=N3)N)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN5O2/c23-14-10-8-13(9-11-14)18-17(26-22(25)27-19(18)24)7-3-4-12-28-20(29)15-5-1-2-6-16(15)21(28)30/h1-3,5-11H,4,12H2,(H4,24,25,26,27)/b7-3+