2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-bromophenyl)carbamoyl]propanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-bromophenyl)carbamoyl]propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(4-bromophenyl)carbamoyl]propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[(4-bromoanilino)-oxomethyl]propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(4-bromophenyl)carbamoyl]propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[(4-bromophenyl)carbamoyl]propionamide Formula: C15H13BrN6O2S MolecularWeight: 421.27172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)Br)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)Br)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H13BrN6O2S/c1-8(25-15-19-7-9(6-17)12(18)21-15)13(23)22-14(24)20-11-4-2-10(16)3-5-11/h2-5,7-8H,1H3,(H2,18,19,21)(H2,20,22,23,24)