3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl (E)-3-(2-methylthiazol-4-yl)prop-2-enoate CAS Name: (E)-3-(2-methyl-4-thiazolyl)-2-propenoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(2-methylthiazol-4-yl)acrylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C17H19N5O4S/c1-11-19-12(9-27-11)5-6-13(23)26-8-4-7-22-16(24)14-15(18-10-20(14)2)21(3)17(22)25/h5-6,9-10H,4,7-8H2,1-3H3/b6-5+