N-methyl-N-[4-methyl-1-(5-nitro-1,3-benzoxazol-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-methyl-N-[4-methyl-1-(5-nitro-1,3-benzoxazol-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-methyl-N-[4-methyl-1-(5-nitro-1,3-benzoxazol-2-yl)-3-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-methyl-N-[4-methyl-1-(5-nitro-1,3-benzoxazol-2-yl)-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-methyl-N-[4-methyl-1-(5-nitro-1,3-benzoxazol-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: methyl-[4-methyl-1-(5-nitro-1,3-benzoxazol-2-yl)-3-piperidyl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C20H21N7O3 MolecularWeight: 407.42584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O3/c1-12-6-8-26(20-24-15-9-13(27(28)29)3-4-17(15)30-20)10-16(12)25(2)19-14-5-7-21-18(14)22-11-23-19/h3-5,7,9,11-12,16H,6,8,10H2,1-2H3,(H,21,22,23)