3-[2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-N-ethyl-benzamide

Systemtic Name: 3-[2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-N-ethyl-benzamide Openeye Name: 3-[[2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]-N-ethyl-benzamide CAS Name: 3-[[2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]-N-ethylbenzamide IUPAC Name: 3-[[2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-ethylbenzamide Traditional Name: 3-[[2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]-N-ethyl-benzamide Formula: C18H19ClN6O4 MolecularWeight: 418.83426

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H19ClN6O4/c1-4-20-15(27)10-6-5-7-11(8-10)21-12(26)9-25-13-14(22-17(25)19)23(2)18(29)24(3)16(13)28/h5-8H,4,9H2,1-3H3,(H,20,27)(H,21,26)