4-[9-cyclopentyl-2-(ethylamino)-1H-purin-6-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[9-cyclopentyl-2-(ethylamino)-1H-purin-6-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[9-cyclopentyl-2-(ethylamino)-1H-purin-6-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[9-cyclopentyl-2-(ethylamino)-1H-purin-6-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[9-cyclopentyl-2-(ethylamino)-1H-purin-6-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[9-cyclopentyl-2-(ethylamino)-1H-purin-6-ylidene]cyclohexa-2,5-dien-1-one Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(C(=C3C=CC(=O)C=C3)N1)N=CN2C4CCCC4

Isomeric SMILES

CCNC1=NC2=C(C(=C3C=CC(=O)C=C3)N1)N=CN2C4CCCC4

InChI

InChI=1S/C18H21N5O/c1-2-19-18-21-15(12-7-9-14(24)10-8-12)16-17(22-18)23(11-20-16)13-5-3-4-6-13/h7-11,13H,2-6H2,1H3,(H2,19,21,22)