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

Systemtic Name: 3-[2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]-N-cyclopropyl-benzamide Formula: C19H19ClN6O4 MolecularWeight: 430.84496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C19H19ClN6O4/c1-24-15-14(17(29)25(2)19(24)30)26(18(20)23-15)9-13(27)21-12-5-3-4-10(8-12)16(28)22-11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,21,27)(H,22,28)