N-[9-ethyl-2-[(phenylmethyl)amino]-8-pyrazol-1-yl-4,5-dihydropurin-6-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[9-ethyl-2-[(phenylmethyl)amino]-8-pyrazol-1-yl-4,5-dihydropurin-6-yl]-2,2-dimethyl-propanamide Openeye Name: N-[2-(benzylamino)-9-ethyl-8-pyrazol-1-yl-4,5-dihydropurin-6-yl]-2,2-dimethyl-propanamide CAS Name: N-[9-ethyl-2-[(phenylmethyl)amino]-8-(1-pyrazolyl)-4,5-dihydropurin-6-yl]-2,2-dimethylpropanamide IUPAC Name: N-[2-(benzylamino)-9-ethyl-8-pyrazol-1-yl-4,5-dihydropurin-6-yl]-2,2-dimethylpropanamide Traditional Name: N-[2-(benzylamino)-9-ethyl-8-pyrazol-1-yl-4,5-dihydropurin-6-yl]-2,2-dimethyl-propionamide Formula: C22H28N8O MolecularWeight: 420.51072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=NC(=N2)NCC3=CC=CC=C3)NC(=O)C(C)(C)C)N=C1N4C=CC=N4

Isomeric SMILES

CCN1C2C(C(=NC(=N2)NCC3=CC=CC=C3)NC(=O)C(C)(C)C)N=C1N4C=CC=N4

InChI

InChI=1S/C22H28N8O/c1-5-29-18-16(25-21(29)30-13-9-12-24-30)17(26-19(31)22(2,3)4)27-20(28-18)23-14-15-10-7-6-8-11-15/h6-13,16,18H,5,14H2,1-4H3,(H2,23,26,27,28,31)