2-(ethylamino)-4-methyl-8-piperidin-1-ium-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pteridin-7-one

Systemtic Name: 2-(ethylamino)-4-methyl-8-piperidin-1-ium-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pteridin-7-one Openeye Name: 2-(ethylamino)-4-methyl-8-piperidin-1-ium-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pteridin-7-one CAS Name: 2-(ethylamino)-4-methyl-8-(4-piperidin-1-iumyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-7-pteridinone IUPAC Name: 2-(ethylamino)-4-methyl-8-piperidin-1-ium-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pteridin-7-one Traditional Name: 2-(ethylamino)-4-methyl-8-piperidin-1-ium-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pteridin-7-one Formula: C21H25N8O+ MolecularWeight: 405.4762

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C2C(=N1)N(C(=O)C(=N2)C3=CN=C4C(=C3)C=CN4)C5CC[NH2+]CC5)C

Isomeric SMILES

CCNC1=NC(=C2C(=N1)N(C(=O)C(=N2)C3=CN=C4C(=C3)C=CN4)C5CC[NH2+]CC5)C

InChI

InChI=1S/C21H24N8O/c1-3-23-21-26-12(2)16-19(28-21)29(15-5-7-22-8-6-15)20(30)17(27-16)14-10-13-4-9-24-18(13)25-11-14/h4,9-11,15,22H,3,5-8H2,1-2H3,(H,24,25)(H,23,26,28)/p+1