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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N,N-bis(thiophen-2-ylmethyl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N,N-bis(2-thienylmethyl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N,N-bis(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N,N-bis(2-thenyl)propionamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N(CC3=CC=CS3)CC4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N(CC3=CC=CS3)CC4=CC=CS4

InChI

InChI=1S/C20H21N5O3S2/c1-22-18-17(19(27)23(2)20(22)28)24(13-21-18)8-7-16(26)25(11-14-5-3-9-29-14)12-15-6-4-10-30-15/h3-6,9-10,13H,7-8,11-12H2,1-2H3