9-butyl-8-(3-methoxyphenyl)sulfonyl-purin-6-amine

Systemtic Name: 9-butyl-8-(3-methoxyphenyl)sulfonyl-purin-6-amine Openeye Name: 9-butyl-8-(3-methoxyphenyl)sulfonyl-purin-6-amine CAS Name: 9-butyl-8-(3-methoxyphenyl)sulfonyl-6-purinamine IUPAC Name: 9-butyl-8-(3-methoxyphenyl)sulfonylpurin-6-amine Traditional Name: [9-butyl-8-(3-methoxyphenyl)sulfonyl-purin-6-yl]amine Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC=N2)N)N=C1S(=O)(=O)C3=CC=CC(=C3)OC

Isomeric SMILES

CCCCN1C2=C(C(=NC=N2)N)N=C1S(=O)(=O)C3=CC=CC(=C3)OC

InChI

InChI=1S/C16H19N5O3S/c1-3-4-8-21-15-13(14(17)18-10-19-15)20-16(21)25(22,23)12-7-5-6-11(9-12)24-2/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19)