2-[[6-azanyl-2-[(4-butylphenyl)amino]purin-9-yl]methoxy]ethanol hydrate

Systemtic Name: 2-[[6-azanyl-2-[(4-butylphenyl)amino]purin-9-yl]methoxy]ethanol hydrate Openeye Name: 2-[[6-amino-2-(4-butylanilino)purin-9-yl]methoxy]ethanol hydrate CAS Name: 2-[[6-amino-2-(4-butylanilino)-9-purinyl]methoxy]ethanol hydrate IUPAC Name: 2-[[6-amino-2-(4-butylanilino)purin-9-yl]methoxy]ethanol hydrate Traditional Name: 2-[[6-amino-2-(4-butylanilino)purin-9-yl]methoxy]ethanol hydrate Formula: C36H50N12O5 MolecularWeight: 730.8596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3COCCO.CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3COCCO.O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3COCCO.CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3COCCO.O

InChI

InChI=1S/2C18H24N6O2.H2O/c2*1-2-3-4-13-5-7-14(8-6-13)21-18-22-16(19)15-17(23-18)24(11-20-15)12-26-10-9-25;/h2*5-8,11,25H,2-4,9-10,12H2,1H3,(H3,19,21,22,23);1H2