2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethylamino]naphthalene-1,4-dione

Systemtic Name: 2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethylamino]naphthalene-1,4-dione Openeye Name: 2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethylamino]naphthalene-1,4-dione CAS Name: 2-[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]ethylamino]naphthalene-1,4-dione IUPAC Name: 2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethylamino]naphthalene-1,4-dione Traditional Name: 2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethylamino]-1,4-naphthoquinone Formula: C18H16N6O2 MolecularWeight: 348.35864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NCCNC3=CC(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NCCNC3=CC(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H16N6O2/c1-24-18-13(9-23-24)17(21-10-22-18)20-7-6-19-14-8-15(25)11-4-2-3-5-12(11)16(14)26/h2-5,8-10,19H,6-7H2,1H3,(H,20,21,22)