2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-(3-methoxypropyl)purin-8-one

Systemtic Name: 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-(3-methoxypropyl)purin-8-one Openeye Name: 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-(3-methoxypropyl)purin-8-one CAS Name: 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-(3-methoxypropyl)-8-purinone IUPAC Name: 2-(cyclopropylamino)-7-[(2-methoxyphenyl)methyl]-9-(3-methoxypropyl)purin-8-one Traditional Name: 2-(cyclopropylamino)-9-(3-methoxypropyl)-7-o-anisyl-purin-8-one Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=NC(=NC=C2N(C1=O)CC3=CC=CC=C3OC)NC4CC4

Isomeric SMILES

COCCCN1C2=NC(=NC=C2N(C1=O)CC3=CC=CC=C3OC)NC4CC4

InChI

InChI=1S/C20H25N5O3/c1-27-11-5-10-24-18-16(12-21-19(23-18)22-15-8-9-15)25(20(24)26)13-14-6-3-4-7-17(14)28-2/h3-4,6-7,12,15H,5,8-11,13H2,1-2H3,(H,21,22,23)