N-(3-chlorophenyl)-9-propan-2-yl-2-thiomorpholin-4-yl-purin-6-amine

Systemtic Name: N-(3-chlorophenyl)-9-propan-2-yl-2-thiomorpholin-4-yl-purin-6-amine Openeye Name: N-(3-chlorophenyl)-9-isopropyl-2-thiomorpholino-purin-6-amine CAS Name: N-(3-chlorophenyl)-9-propan-2-yl-2-thiomorpholin-4-yl-6-purinamine IUPAC Name: N-(3-chlorophenyl)-9-propan-2-yl-2-thiomorpholin-4-ylpurin-6-amine Traditional Name: (3-chlorophenyl)-(9-isopropyl-2-thiomorpholino-purin-6-yl)amine Formula: C18H21ClN6S MolecularWeight: 388.91754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCSCC4

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCSCC4

InChI

InChI=1S/C18H21ClN6S/c1-12(2)25-11-20-15-16(21-14-5-3-4-13(19)10-14)22-18(23-17(15)25)24-6-8-26-9-7-24/h3-5,10-12H,6-9H2,1-2H3,(H,21,22,23)