2-azanyl-6,7-bis[(4-butylphenyl)methyl]-1H-pteridin-4-one

Systemtic Name: 2-azanyl-6,7-bis[(4-butylphenyl)methyl]-1H-pteridin-4-one Openeye Name: 2-amino-6,7-bis[(4-butylphenyl)methyl]-1H-pteridin-4-one CAS Name: 2-amino-6,7-bis[(4-butylphenyl)methyl]-1H-pteridin-4-one IUPAC Name: 2-amino-6,7-bis[(4-butylphenyl)methyl]-1H-pteridin-4-one Traditional Name: 2-amino-6,7-bis(4-butylbenzyl)-1H-pteridin-4-one Formula: C28H33N5O MolecularWeight: 455.59452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC2=NC3=C(NC(=NC3=O)N)N=C2CC4=CC=C(C=C4)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC2=NC3=C(NC(=NC3=O)N)N=C2CC4=CC=C(C=C4)CCCC

InChI

InChI=1S/C28H33N5O/c1-3-5-7-19-9-13-21(14-10-19)17-23-24(18-22-15-11-20(12-16-22)8-6-4-2)31-26-25(30-23)27(34)33-28(29)32-26/h9-16H,3-8,17-18H2,1-2H3,(H3,29,31,32,33,34)