2-azanyl-6-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-phenylmethoxy-8H-pteridin-7-one

Systemtic Name: 2-azanyl-6-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-phenylmethoxy-8H-pteridin-7-one Openeye Name: 2-amino-4-benzyloxy-6-[(1E)-1,5-dimethylhexa-1,4-dienyl]-8H-pteridin-7-one CAS Name: 2-amino-6-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-phenylmethoxy-8H-pteridin-7-one IUPAC Name: 2-amino-6-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-phenylmethoxy-8H-pteridin-7-one Traditional Name: 2-amino-4-benzoxy-6-[(1E)-1,5-dimethylhexa-1,4-dienyl]-8H-pteridin-7-one Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC=C(C)C1=NC2=C(NC1=O)N=C(N=C2OCC3=CC=CC=C3)N)C

Isomeric SMILES

CC(=CC/C=C(\C)/C1=NC2=C(NC1=O)N=C(N=C2OCC3=CC=CC=C3)N)C

InChI

InChI=1S/C21H23N5O2/c1-13(2)8-7-9-14(3)16-19(27)24-18-17(23-16)20(26-21(22)25-18)28-12-15-10-5-4-6-11-15/h4-6,8-11H,7,12H2,1-3H3,(H3,22,24,25,26,27)/b14-9+