8-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(4-amino-6-morpholino-1,3,5-triazin-2-yl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methylthio]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[(4-amino-6-morpholino-s-triazin-2-yl)methylthio]-1,3-dimethyl-xanthine Formula: C18H23N9O3S MolecularWeight: 445.49872

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NC(=NC(=N3)N)N4CCOCC4)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NC(=NC(=N3)N)N4CCOCC4)CC=C

InChI

InChI=1S/C18H23N9O3S/c1-4-5-27-12-13(24(2)18(29)25(3)14(12)28)22-17(27)31-10-11-20-15(19)23-16(21-11)26-6-8-30-9-7-26/h4H,1,5-10H2,2-3H3,(H2,19,20,21,23)