8-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine

Systemtic Name: 8-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine Openeye Name: 8-[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidyl]-7H-purine-2,6-diamine CAS Name: 8-[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]-7H-purine-2,6-diamine IUPAC Name: 8-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine Traditional Name: [2-amino-8-[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidyl]-7H-purin-6-yl]amine Formula: C18H23N7O4S MolecularWeight: 433.48472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(N3)C(=NC(=N4)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(N3)C(=NC(=N4)N)N)OC

InChI

InChI=1S/C18H23N7O4S/c1-28-12-4-3-11(9-13(12)29-2)30(26,27)25-7-5-10(6-8-25)16-21-14-15(19)22-18(20)24-17(14)23-16/h3-4,9-10H,5-8H2,1-2H3,(H5,19,20,21,22,23,24)