1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]urea

Systemtic Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]urea Openeye Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]urea CAS Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]urea IUPAC Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]urea Traditional Name: 1-(4-adenin-9-ylphenyl)-3-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]urea Formula: C26H27N9O MolecularWeight: 481.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)N4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)N4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C26H27N9O/c1-16-6-5-7-19(12-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-8-10-18(11-9-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)