2-[2-(4-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)ethylamino]naphthalene-1,4-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)CCNC3=CC(=O)C4=CC=CC=C4C3=O)C(=NC=N2)N

Isomeric SMILES

CN1C2=C(C(=N1)CCNC3=CC(=O)C4=CC=CC=C4C3=O)C(=NC=N2)N

InChI

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