N-(3-morpholin-4-ylpropyl)-3-[6-oxidanylidene-1-(phenylmethyl)purin-9-yl]propanamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-3-[6-oxidanylidene-1-(phenylmethyl)purin-9-yl]propanamide Openeye Name: 3-(1-benzyl-6-oxo-purin-9-yl)-N-(3-morpholinopropyl)propanamide CAS Name: N-[3-(4-morpholinyl)propyl]-3-[6-oxo-1-(phenylmethyl)-9-purinyl]propanamide IUPAC Name: 3-(1-benzyl-6-oxopurin-9-yl)-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: 3-(1-benzyl-6-keto-purin-9-yl)-N-(3-morpholinopropyl)propionamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)CCN2C=NC3=C2N=CN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCCNC(=O)CCN2C=NC3=C2N=CN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O3/c29-19(23-8-4-9-26-11-13-31-14-12-26)7-10-27-16-24-20-21(27)25-17-28(22(20)30)15-18-5-2-1-3-6-18/h1-3,5-6,16-17H,4,7-15H2,(H,23,29)