N-(2-chloranyl-5-methyl-phenyl)-2-[2-[ethyl(prop-2-enyl)amino]purin-9-yl]-3-oxidanylidene-butanamide

Systemtic Name: N-(2-chloranyl-5-methyl-phenyl)-2-[2-[ethyl(prop-2-enyl)amino]purin-9-yl]-3-oxidanylidene-butanamide Openeye Name: 2-[2-[allyl(ethyl)amino]purin-9-yl]-N-(2-chloro-5-methyl-phenyl)-3-oxo-butanamide CAS Name: N-(2-chloro-5-methylphenyl)-2-[2-[ethyl(prop-2-enyl)amino]-9-purinyl]-3-oxobutanamide IUPAC Name: N-(2-chloro-5-methylphenyl)-2-[2-[ethyl(prop-2-enyl)amino]purin-9-yl]-3-oxobutanamide Traditional Name: 2-[2-[allyl(ethyl)amino]purin-9-yl]-N-(2-chloro-5-methyl-phenyl)-3-keto-butyramide Formula: C21H23ClN6O2 MolecularWeight: 426.89932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=C)C1=NC=C2C(=N1)N(C=N2)C(C(=O)C)C(=O)NC3=C(C=CC(=C3)C)Cl

Isomeric SMILES

CCN(CC=C)C1=NC=C2C(=N1)N(C=N2)C(C(=O)C)C(=O)NC3=C(C=CC(=C3)C)Cl

InChI

InChI=1S/C21H23ClN6O2/c1-5-9-27(6-2)21-23-11-17-19(26-21)28(12-24-17)18(14(4)29)20(30)25-16-10-13(3)7-8-15(16)22/h5,7-8,10-12,18H,1,6,9H2,2-4H3,(H,25,30)