N-[2-[(2S)-butan-2-yl]-5-methyl-pyrazol-3-yl]-2-[4-(7H-purin-6-yl)pyrazol-1-yl]ethanamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]-5-methyl-pyrazol-3-yl]-2-[4-(7H-purin-6-yl)pyrazol-1-yl]ethanamide Openeye Name: N-[5-methyl-2-[(1S)-1-methylpropyl]pyrazol-3-yl]-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide CAS Name: N-[2-[(2S)-butan-2-yl]-5-methyl-3-pyrazolyl]-2-[4-(7H-purin-6-yl)-1-pyrazolyl]acetamide IUPAC Name: N-[2-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide Traditional Name: N-[5-methyl-2-[(1S)-1-methylpropyl]pyrazol-3-yl]-2-[4-(7H-purin-6-yl)pyrazol-1-yl]acetamide Formula: C18H21N9O MolecularWeight: 379.41904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC(=N1)C)NC(=O)CN2C=C(C=N2)C3=C4C(=NC=N3)N=CN4

Isomeric SMILES

CC[C@H](C)N1C(=CC(=N1)C)NC(=O)CN2C=C(C=N2)C3=C4C(=NC=N3)N=CN4

InChI

InChI=1S/C18H21N9O/c1-4-12(3)27-14(5-11(2)25-27)24-15(28)8-26-7-13(6-23-26)16-17-18(21-9-19-16)22-10-20-17/h5-7,9-10,12H,4,8H2,1-3H3,(H,24,28)(H,19,20,21,22)/t12-/m0/s1