4-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoylamino]-N-(diethylaminomethyl)benzamide

Systemtic Name: 4-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoylamino]-N-(diethylaminomethyl)benzamide Openeye Name: 4-[[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]amino]-N-(diethylaminomethyl)benzamide CAS Name: 4-[[2-(2-amino-6-oxo-3H-purin-9-yl)-1-oxoethyl]amino]-N-(diethylaminomethyl)benzamide IUPAC Name: 4-[[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]amino]-N-(diethylaminomethyl)benzamide Traditional Name: 4-[[2-(2-amino-6-keto-3H-purin-9-yl)acetyl]amino]-N-(diethylaminomethyl)benzamide Formula: C19H24N8O3 MolecularWeight: 412.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CNC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCN(CC)CNC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C19H24N8O3/c1-3-26(4-2)10-22-17(29)12-5-7-13(8-6-12)23-14(28)9-27-11-21-15-16(27)24-19(20)25-18(15)30/h5-8,11H,3-4,9-10H2,1-2H3,(H,22,29)(H,23,28)(H3,20,24,25,30)