3-(4-chlorophenyl)-N-ethyl-8-propan-2-yl-purin-6-amine

Systemtic Name: 3-(4-chlorophenyl)-N-ethyl-8-propan-2-yl-purin-6-amine Openeye Name: 3-(4-chlorophenyl)-N-ethyl-8-isopropyl-purin-6-amine CAS Name: 3-(4-chlorophenyl)-N-ethyl-8-propan-2-yl-6-purinamine IUPAC Name: 3-(4-chlorophenyl)-N-ethyl-8-propan-2-ylpurin-6-amine Traditional Name: [3-(4-chlorophenyl)-8-isopropyl-purin-6-yl]-ethyl-amine Formula: C16H18ClN5 MolecularWeight: 315.80062

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN5/c1-4-18-15-13-16(21-14(20-13)10(2)3)22(9-19-15)12-7-5-11(17)6-8-12/h5-10,18H,4H2,1-3H3