N-methyl-N-(phenylmethyl)-3-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfonyl-propanamide

Systemtic Name: N-methyl-N-(phenylmethyl)-3-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfonyl-propanamide Openeye Name: N-benzyl-N-methyl-3-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfonyl-propanamide CAS Name: N-methyl-N-(phenylmethyl)-3-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)sulfonyl]propanamide IUPAC Name: N-benzyl-N-methyl-3-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfonylpropanamide Traditional Name: N-benzyl-3-(2,6-diketo-1,3,9-trimethyl-purin-8-yl)sulfonyl-N-methyl-propionamide Formula: C19H23N5O5S MolecularWeight: 433.48142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O5S/c1-21(12-13-8-6-5-7-9-13)14(25)10-11-30(28,29)18-20-15-16(22(18)2)23(3)19(27)24(4)17(15)26/h5-9H,10-12H2,1-4H3