2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-allyl-2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-thienylmethyl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-allyl-2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2-thenyl)acetamide Formula: C17H18ClN5O3S MolecularWeight: 407.87452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(CC=C)CC3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N(CC=C)CC3=CC=CS3

InChI

InChI=1S/C17H18ClN5O3S/c1-4-7-22(9-11-6-5-8-27-11)12(24)10-23-13-14(19-16(23)18)20(2)17(26)21(3)15(13)25/h4-6,8H,1,7,9-10H2,2-3H3