2-azanyl-9-[3-(tert-butylamino)-2-oxidanyl-propyl]-8-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3-(tert-butylamino)-2-oxidanyl-propyl]-8-(phenylmethyl)-3H-purin-6-one Openeye Name: 2-amino-8-benzyl-9-[3-(tert-butylamino)-2-hydroxy-propyl]-3H-purin-6-one CAS Name: 2-amino-9-[3-(tert-butylamino)-2-hydroxypropyl]-8-(phenylmethyl)-3H-purin-6-one IUPAC Name: 2-amino-8-benzyl-9-[3-(tert-butylamino)-2-hydroxypropyl]-3H-purin-6-one Traditional Name: 2-amino-8-benzyl-9-[3-(tert-butylamino)-2-hydroxy-propyl]-3H-purin-6-one Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(CN1C(=NC2=C1NC(=NC2=O)N)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)NCC(CN1C(=NC2=C1NC(=NC2=O)N)CC3=CC=CC=C3)O

InChI

InChI=1S/C19H26N6O2/c1-19(2,3)21-10-13(26)11-25-14(9-12-7-5-4-6-8-12)22-15-16(25)23-18(20)24-17(15)27/h4-8,13,21,26H,9-11H2,1-3H3,(H3,20,23,24,27)