N2-cycloheptyl-N6-[4-(2,3-dihydrothiophen-2-yl)phenyl]-7H-purine-2,6-diamine

Systemtic Name: N2-cycloheptyl-N6-[4-(2,3-dihydrothiophen-2-yl)phenyl]-7H-purine-2,6-diamine Openeye Name: N2-cycloheptyl-N6-[4-(2,3-dihydrothiophen-2-yl)phenyl]-7H-purine-2,6-diamine CAS Name: N2-cycloheptyl-N6-[4-(2,3-dihydrothiophen-2-yl)phenyl]-7H-purine-2,6-diamine IUPAC Name: 2-N-cycloheptyl-6-N-[4-(2,3-dihydrothiophen-2-yl)phenyl]-7H-purine-2,6-diamine Traditional Name: cycloheptyl-[6-[4-(2,3-dihydrothiophen-2-yl)anilino]-7H-purin-2-yl]amine Formula: C22H26N6S MolecularWeight: 406.54704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)C5CC=CS5)NC=N3

Isomeric SMILES

C1CCCC(CC1)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)C5CC=CS5)NC=N3

InChI

InChI=1S/C22H26N6S/c1-2-4-7-16(6-3-1)26-22-27-20-19(23-14-24-20)21(28-22)25-17-11-9-15(10-12-17)18-8-5-13-29-18/h5,9-14,16,18H,1-4,6-8H2,(H3,23,24,25,26,27,28)