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

Systemtic Name: 2-[[2-[(4-butylphenyl)amino]-6-methoxy-purin-9-yl]methoxy]ethanol hydrate Openeye Name: 2-[[2-(4-butylanilino)-6-methoxy-purin-9-yl]methoxy]ethanol hydrate CAS Name: 2-[[2-(4-butylanilino)-6-methoxy-9-purinyl]methoxy]ethanol hydrate IUPAC Name: 2-[[2-(4-butylanilino)-6-methoxypurin-9-yl]methoxy]ethanol hydrate Traditional Name: 2-[[2-(4-butylanilino)-6-methoxy-purin-9-yl]methoxy]ethanol hydrate Formula: C38H52N10O7 MolecularWeight: 760.88228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H25N5O3.H2O/c2*1-3-4-5-14-6-8-15(9-7-14)21-19-22-17-16(18(23-19)26-2)20-12-24(17)13-27-11-10-25;/h2*6-9,12,25H,3-5,10-11,13H2,1-2H3,(H,21,22,23);1H2