4-[(9-cyclopentyl-7-ethyl-8-oxidanylidene-purin-2-yl)amino]-3-methoxy-N-methyl-benzamide

Systemtic Name: 4-[(9-cyclopentyl-7-ethyl-8-oxidanylidene-purin-2-yl)amino]-3-methoxy-N-methyl-benzamide Openeye Name: 4-[(9-cyclopentyl-7-ethyl-8-oxo-purin-2-yl)amino]-3-methoxy-N-methyl-benzamide CAS Name: 4-[(9-cyclopentyl-7-ethyl-8-oxo-2-purinyl)amino]-3-methoxy-N-methylbenzamide IUPAC Name: 4-[(9-cyclopentyl-7-ethyl-8-oxopurin-2-yl)amino]-3-methoxy-N-methylbenzamide Traditional Name: 4-[(9-cyclopentyl-7-ethyl-8-keto-purin-2-yl)amino]-3-methoxy-N-methyl-benzamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC)OC

Isomeric SMILES

CCN1C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC)OC

InChI

InChI=1S/C21H26N6O3/c1-4-26-16-12-23-20(25-18(16)27(21(26)29)14-7-5-6-8-14)24-15-10-9-13(19(28)22-2)11-17(15)30-3/h9-12,14H,4-8H2,1-3H3,(H,22,28)(H,23,24,25)