2-chloranyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-9-propan-2-yl-purin-6-amine

Systemtic Name: 2-chloranyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-9-propan-2-yl-purin-6-amine Openeye Name: 2-chloro-9-isopropyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]purin-6-amine CAS Name: 2-chloro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-9-propan-2-yl-6-purinamine IUPAC Name: 2-chloro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-9-propan-2-ylpurin-6-amine Traditional Name: (2-chloro-9-isopropyl-purin-6-yl)-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]amine Formula: C17H16ClN7S MolecularWeight: 385.87384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=NN=C(S3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=NN=C(S3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C17H16ClN7S/c1-10(2)25-9-20-13-14(21-17(18)22-15(13)25)19-8-12-23-24-16(26-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,21,22)