8-azanyl-2-(5-piperidin-1-ylsulfonyl-2-propoxy-phenyl)purin-6-one

Systemtic Name: 8-azanyl-2-(5-piperidin-1-ylsulfonyl-2-propoxy-phenyl)purin-6-one Openeye Name: 8-amino-2-[5-(1-piperidylsulfonyl)-2-propoxy-phenyl]purin-6-one CAS Name: 8-amino-2-[5-(1-piperidinylsulfonyl)-2-propoxyphenyl]-6-purinone IUPAC Name: 8-amino-2-(5-piperidin-1-ylsulfonyl-2-propoxyphenyl)purin-6-one Traditional Name: 8-amino-2-(5-piperidinosulfonyl-2-propoxy-phenyl)purin-6-one Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C3=NC(=O)C4=NC(=NC4=N3)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C3=NC(=O)C4=NC(=NC4=N3)N

InChI

InChI=1S/C19H22N6O4S/c1-2-10-29-14-7-6-12(30(27,28)25-8-4-3-5-9-25)11-13(14)16-22-17-15(18(26)23-16)21-19(20)24-17/h6-7,11H,2-5,8-10H2,1H3,(H2,20,22,23,24,26)