3-[2-[2-cyclopentyl-6-[(4-dipropylphosphorylphenyl)amino]purin-9-yl]ethyl]phenol

Systemtic Name: 3-[2-[2-cyclopentyl-6-[(4-dipropylphosphorylphenyl)amino]purin-9-yl]ethyl]phenol Openeye Name: 3-[2-[2-cyclopentyl-6-(4-dipropylphosphorylanilino)purin-9-yl]ethyl]phenol CAS Name: 3-[2-[2-cyclopentyl-6-(4-dipropylphosphorylanilino)-9-purinyl]ethyl]phenol IUPAC Name: 3-[2-[2-cyclopentyl-6-(4-dipropylphosphorylanilino)purin-9-yl]ethyl]phenol Traditional Name: 3-[2-[2-cyclopentyl-6-(4-dipropylphosphorylanilino)purin-9-yl]ethyl]phenol Formula: C30H38N5O2P MolecularWeight: 531.628781

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Descriptors Computed from Structure

Canonical SMILES:

CCCP(=O)(CCC)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CCC4=CC(=CC=C4)O)C5CCCC5

Isomeric SMILES

CCCP(=O)(CCC)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CCC4=CC(=CC=C4)O)C5CCCC5

InChI

InChI=1S/C30H38N5O2P/c1-3-18-38(37,19-4-2)26-14-12-24(13-15-26)32-29-27-30(34-28(33-29)23-9-5-6-10-23)35(21-31-27)17-16-22-8-7-11-25(36)20-22/h7-8,11-15,20-21,23,36H,3-6,9-10,16-19H2,1-2H3,(H,32,33,34)