(8Z)-1-methyl-8-(4-methyl-3H-1,3-thiazol-2-ylidene)-9-(phenylmethyl)purine-2,6-dione

Systemtic Name: (8Z)-1-methyl-8-(4-methyl-3H-1,3-thiazol-2-ylidene)-9-(phenylmethyl)purine-2,6-dione Openeye Name: (8Z)-9-benzyl-1-methyl-8-(4-methyl-3H-thiazol-2-ylidene)purine-2,6-dione CAS Name: (8Z)-1-methyl-8-(4-methyl-3H-thiazol-2-ylidene)-9-(phenylmethyl)purine-2,6-dione IUPAC Name: (8Z)-9-benzyl-1-methyl-8-(4-methyl-3H-1,3-thiazol-2-ylidene)purine-2,6-dione Traditional Name: (8Z)-9-benzyl-1-methyl-8-(4-methyl-4-thiazolin-2-ylidene)xanthine Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C2N=C3C(=NC(=O)N(C3=O)C)N2CC4=CC=CC=C4)N1

Isomeric SMILES

CC1=CS/C(=C\2/N=C3C(=NC(=O)N(C3=O)C)N2CC4=CC=CC=C4)/N1

InChI

InChI=1S/C17H15N5O2S/c1-10-9-25-15(18-10)14-19-12-13(20-17(24)21(2)16(12)23)22(14)8-11-6-4-3-5-7-11/h3-7,9,18H,8H2,1-2H3/b15-14-