1-[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]-1-ethyl-urea

Systemtic Name: 1-[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]-1-ethyl-urea Openeye Name: 1-[6-(3-chloroanilino)-9-ethyl-purin-2-yl]-1-ethyl-urea CAS Name: 1-[6-(3-chloroanilino)-9-ethyl-2-purinyl]-1-ethylurea IUPAC Name: 1-[6-(3-chloroanilino)-9-ethylpurin-2-yl]-1-ethylurea Traditional Name: 1-[6-(3-chloroanilino)-9-ethyl-purin-2-yl]-1-ethyl-urea Formula: C16H18ClN7O MolecularWeight: 359.81342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N(CC)C(=O)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N(CC)C(=O)N

InChI

InChI=1S/C16H18ClN7O/c1-3-23-9-19-12-13(20-11-7-5-6-10(17)8-11)21-16(22-14(12)23)24(4-2)15(18)25/h5-9H,3-4H2,1-2H3,(H2,18,25)(H,20,21,22)