(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-nitrophenyl)methanone

Systemtic Name: (4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-nitrophenyl)methanone Openeye Name: (4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-nitrophenyl)methanone CAS Name: (4-amino-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-(3-nitrophenyl)methanone IUPAC Name: (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-nitrophenyl)methanone Traditional Name: (4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-nitrophenyl)methanone Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c19-17-15-14(16(24)11-4-3-7-13(8-11)23(25)26)9-22(12-5-1-2-6-12)18(15)21-10-20-17/h3-4,7-10,12H,1-2,5-6H2,(H2,19,20,21)