2-(2-azanylethyl)-7-[(4-tert-butylphenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-(2-azanylethyl)-7-[(4-tert-butylphenyl)methyl]-3H-purin-6-one Openeye Name: 2-(2-aminoethyl)-7-[(4-tert-butylphenyl)methyl]-3H-purin-6-one CAS Name: 2-(2-aminoethyl)-7-[(4-tert-butylphenyl)methyl]-3H-purin-6-one IUPAC Name: 2-(2-aminoethyl)-7-[(4-tert-butylphenyl)methyl]-3H-purin-6-one Traditional Name: 2-(2-aminoethyl)-7-(4-tert-butylbenzyl)-3H-purin-6-one Formula: C18H23N5O MolecularWeight: 325.40812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)CCN

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)CCN

InChI

InChI=1S/C18H23N5O/c1-18(2,3)13-6-4-12(5-7-13)10-23-11-20-16-15(23)17(24)22-14(21-16)8-9-19/h4-7,11H,8-10,19H2,1-3H3,(H,21,22,24)