2-(2-azanylethylamino)-4-[(3-bromophenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-(2-azanylethylamino)-4-[(3-bromophenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide CAS Name: 2-(2-aminoethylamino)-4-(3-bromoanilino)-5-pyrimidinecarboxamide IUPAC Name: 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide Traditional Name: 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide Formula: C13H15BrN6O MolecularWeight: 351.2018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC(=NC=C2C(=O)N)NCCN

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC(=NC=C2C(=O)N)NCCN

InChI

InChI=1S/C13H15BrN6O/c14-8-2-1-3-9(6-8)19-12-10(11(16)21)7-18-13(20-12)17-5-4-15/h1-3,6-7H,4-5,15H2,(H2,16,21)(H2,17,18,19,20)