3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-methyl-1-thiophen-2-yl-propyl)propanamide

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-methyl-1-thiophen-2-yl-propyl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-methyl-1-(2-thienyl)propyl]propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[2-methyl-1-(2-thienyl)propyl]propionamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)C(C1=CC=CS1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H23N5O3S/c1-11(2)14(12-6-5-9-27-12)20-13(24)7-8-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-6,9-11,14H,7-8H2,1-4H3,(H,20,24)