1-[4-(6-azanyl-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]urea

Systemtic Name: 1-[4-(6-azanyl-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]urea Openeye Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]urea CAS Name: 1-[4-(6-amino-8-methyl-9-purinyl)phenyl]-3-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]urea IUPAC Name: 1-[4-(6-amino-8-methylpurin-9-yl)phenyl]-3-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]urea Traditional Name: 1-[4-(6-amino-8-methyl-purin-9-yl)phenyl]-3-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]urea Formula: C27H29N9O MolecularWeight: 495.57886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N9O/c1-16-6-10-20(11-7-16)36-22(14-21(34-36)27(3,4)5)33-26(37)32-18-8-12-19(13-9-18)35-17(2)31-23-24(28)29-15-30-25(23)35/h6-15H,1-5H3,(H2,28,29,30)(H2,32,33,37)