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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[2-pyrrolidino-2-(2-thienyl)ethyl]propionamide Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCC(C3=CC=CS3)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCC(C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C20H26N6O3S/c1-23-18-17(19(28)24(2)20(23)29)26(13-22-18)10-7-16(27)21-12-14(15-6-5-11-30-15)25-8-3-4-9-25/h5-6,11,13-14H,3-4,7-10,12H2,1-2H3,(H,21,27)