N-(2-acetamidoethyl)-6-[(3-bromophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-6-[(3-bromophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-(2-acetamidoethyl)-6-[(3-bromophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-(2-acetamidoethyl)-6-[(3-bromophenyl)methyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-(2-acetamidoethyl)-6-[(3-bromophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-(2-acetamidoethyl)-6-(3-bromobenzyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C20H22BrN5O2 MolecularWeight: 444.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=NN12)C(=O)NCCNC(=O)C)C)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C(=NC2=C(C=NN12)C(=O)NCCNC(=O)C)C)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrN5O2/c1-12-17(10-15-5-4-6-16(21)9-15)13(2)26-19(25-12)18(11-24-26)20(28)23-8-7-22-14(3)27/h4-6,9,11H,7-8,10H2,1-3H3,(H,22,27)(H,23,28)