1-[4-(6-aminopurin-9-yl)phenyl]-3-(3-propan-2-ylphenyl)urea

Systemtic Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-(3-propan-2-ylphenyl)urea Openeye Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-(3-isopropylphenyl)urea CAS Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-(3-propan-2-ylphenyl)urea IUPAC Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-(3-propan-2-ylphenyl)urea Traditional Name: 1-(4-adenin-9-ylphenyl)-3-m-cumenyl-urea Formula: C21H21N7O MolecularWeight: 387.43774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C21H21N7O/c1-13(2)14-4-3-5-16(10-14)27-21(29)26-15-6-8-17(9-7-15)28-12-25-18-19(22)23-11-24-20(18)28/h3-13H,1-2H3,(H2,22,23,24)(H2,26,27,29)