3-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetyl]amino]-N-cyclopropyl-benzamide Formula: C19H19BrN6O4 MolecularWeight: 475.29596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)Br

InChI

InChI=1S/C19H19BrN6O4/c1-24-16-14(17(29)25(2)19(24)30)23-18(20)26(16)9-13(27)21-12-5-3-4-10(8-12)15(28)22-11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,21,27)(H,22,28)