3-[2-[(4-methylpyridin-1-ium-2-yl)amino]ethyl]pteridin-4-one

Systemtic Name: 3-[2-[(4-methylpyridin-1-ium-2-yl)amino]ethyl]pteridin-4-one Openeye Name: 3-[2-[(4-methylpyridin-1-ium-2-yl)amino]ethyl]pteridin-4-one CAS Name: 3-[2-[(4-methyl-2-pyridin-1-iumyl)amino]ethyl]-4-pteridinone IUPAC Name: 3-[2-[(4-methylpyridin-1-ium-2-yl)amino]ethyl]pteridin-4-one Traditional Name: 3-[2-[(4-methylpyridin-1-ium-2-yl)amino]ethyl]pteridin-4-one Formula: C14H15N6O+ MolecularWeight: 283.3085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NCCN2C=NC3=NC=CN=C3C2=O

Isomeric SMILES

CC1=CC(=[NH+]C=C1)NCCN2C=NC3=NC=CN=C3C2=O

InChI

InChI=1S/C14H14N6O/c1-10-2-3-15-11(8-10)16-6-7-20-9-19-13-12(14(20)21)17-4-5-18-13/h2-5,8-9H,6-7H2,1H3,(H,15,16)/p+1