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

Systemtic Name: 4-methyl-8-piperidin-1-ium-4-yl-2-(propan-2-ylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pteridin-7-one Openeye Name: 2-(isopropylamino)-4-methyl-8-piperidin-1-ium-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pteridin-7-one CAS Name: 4-methyl-8-(4-piperidin-1-iumyl)-2-(propan-2-ylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-7-pteridinone IUPAC Name: 4-methyl-8-piperidin-1-ium-4-yl-2-(propan-2-ylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pteridin-7-one Traditional Name: 2-(isopropylamino)-4-methyl-8-piperidin-1-ium-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pteridin-7-one Formula: C22H27N8O+ MolecularWeight: 419.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)NC(C)C)N(C(=O)C(=N2)C3=CN=C4C(=C3)C=CN4)C5CC[NH2+]CC5

Isomeric SMILES

CC1=C2C(=NC(=N1)NC(C)C)N(C(=O)C(=N2)C3=CN=C4C(=C3)C=CN4)C5CC[NH2+]CC5

InChI

InChI=1S/C22H26N8O/c1-12(2)26-22-27-13(3)17-20(29-22)30(16-5-7-23-8-6-16)21(31)18(28-17)15-10-14-4-9-24-19(14)25-11-15/h4,9-12,16,23H,5-8H2,1-3H3,(H,24,25)(H,26,27,29)/p+1