2-azanyl-5-[azanyl-(4-octoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[azanyl-(4-octoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[amino-(4-octoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[amino-(4-octoxyphenyl)methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[amino-(4-octoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[amino-(4-octoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(C2=C3C(=NC(=NC3=O)N)N=C2)N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(C2=C3C(=NC(=NC3=O)N)N=C2)N

InChI

InChI=1S/C21H27N5O2/c1-2-3-4-5-6-7-12-28-15-10-8-14(9-11-15)18(22)16-13-24-19-17(16)20(27)26-21(23)25-19/h8-11,13,18H,2-7,12,22H2,1H3,(H2,23,26,27)