5-(2-azanylpyrimidin-4-yl)-N-[(4-chloranyl-2-methyl-phenyl)methyl]thiophene-2-carboxamide

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-N-[(4-chloranyl-2-methyl-phenyl)methyl]thiophene-2-carboxamide Openeye Name: 5-(2-aminopyrimidin-4-yl)-N-[(4-chloro-2-methyl-phenyl)methyl]thiophene-2-carboxamide CAS Name: 5-(2-amino-4-pyrimidinyl)-N-[(4-chloro-2-methylphenyl)methyl]-2-thiophenecarboxamide IUPAC Name: 5-(2-aminopyrimidin-4-yl)-N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-carboxamide Traditional Name: 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-2-methyl-benzyl)thiophene-2-carboxamide Formula: C17H15ClN4OS MolecularWeight: 358.8452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)CNC(=O)C2=CC=C(S2)C3=NC(=NC=C3)N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)CNC(=O)C2=CC=C(S2)C3=NC(=NC=C3)N

InChI

InChI=1S/C17H15ClN4OS/c1-10-8-12(18)3-2-11(10)9-21-16(23)15-5-4-14(24-15)13-6-7-20-17(19)22-13/h2-8H,9H2,1H3,(H,21,23)(H2,19,20,22)