6-azanyl-2-butoxy-9-[3-[3-morpholin-4-ylpropyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]propyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[3-morpholin-4-ylpropyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]propyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[3-[3-morpholinopropyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]propyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[3-(4-morpholinyl)propyl-[[4-(2-pyrimidinyl)phenyl]methyl]amino]propyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[3-[3-morpholin-4-ylpropyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]propyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-[3-morpholinopropyl-[4-(2-pyrimidyl)benzyl]amino]propyl]-7H-purin-8-one Formula: C30H41N9O3 MolecularWeight: 575.70504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CCCN3CCOCC3)CC4=CC=C(C=C4)C5=NC=CC=N5

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CCCN3CCOCC3)CC4=CC=C(C=C4)C5=NC=CC=N5

InChI

InChI=1S/C30H41N9O3/c1-2-3-19-42-29-35-26(31)25-28(36-29)39(30(40)34-25)16-6-15-38(14-5-13-37-17-20-41-21-18-37)22-23-7-9-24(10-8-23)27-32-11-4-12-33-27/h4,7-12H,2-3,5-6,13-22H2,1H3,(H,34,40)(H2,31,35,36)