8-azanyl-2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)purin-6-one

Systemtic Name: 8-azanyl-2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)purin-6-one Openeye Name: 8-amino-2-(5-morpholinosulfonyl-2-propoxy-phenyl)purin-6-one CAS Name: 8-amino-2-[5-(4-morpholinylsulfonyl)-2-propoxyphenyl]-6-purinone IUPAC Name: 8-amino-2-(5-morpholin-4-ylsulfonyl-2-propoxyphenyl)purin-6-one Traditional Name: 8-amino-2-(5-morpholinosulfonyl-2-propoxy-phenyl)purin-6-one Formula: C18H20N6O5S MolecularWeight: 432.4536

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC(=O)C4=NC(=NC4=N3)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC(=O)C4=NC(=NC4=N3)N

InChI

InChI=1S/C18H20N6O5S/c1-2-7-29-13-4-3-11(30(26,27)24-5-8-28-9-6-24)10-12(13)15-21-16-14(17(25)22-15)20-18(19)23-16/h3-4,10H,2,5-9H2,1H3,(H2,19,21,22,23,25)