9-methyl-8-[[2-methyl-5-(4-propoxyphenyl)furan-3-yl]methylsulfanyl]-3H-purin-6-one

Systemtic Name: 9-methyl-8-[[2-methyl-5-(4-propoxyphenyl)furan-3-yl]methylsulfanyl]-3H-purin-6-one Openeye Name: 9-methyl-8-[[2-methyl-5-(4-propoxyphenyl)-3-furyl]methylsulfanyl]-3H-purin-6-one CAS Name: 9-methyl-8-[[2-methyl-5-(4-propoxyphenyl)-3-furanyl]methylthio]-3H-purin-6-one IUPAC Name: 9-methyl-8-[[2-methyl-5-(4-propoxyphenyl)furan-3-yl]methylsulfanyl]-3H-purin-6-one Traditional Name: 9-methyl-8-[[2-methyl-5-(4-propoxyphenyl)-3-furyl]methylthio]-3H-purin-6-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC(=C(O2)C)CSC3=NC4=C(N3C)NC=NC4=O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC(=C(O2)C)CSC3=NC4=C(N3C)NC=NC4=O

InChI

InChI=1S/C21H22N4O3S/c1-4-9-27-16-7-5-14(6-8-16)17-10-15(13(2)28-17)11-29-21-24-18-19(25(21)3)22-12-23-20(18)26/h5-8,10,12H,4,9,11H2,1-3H3,(H,22,23,26)