2-chloranyl-N-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6-methyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-chloranyl-N-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6-methyl-5-nitro-pyrimidin-4-amine Openeye Name: 2-chloro-N-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-6-methyl-5-nitro-pyrimidin-4-amine CAS Name: 2-chloro-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-methyl-5-nitro-4-pyrimidinamine IUPAC Name: 2-chloro-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-methyl-5-nitropyrimidin-4-amine Traditional Name: (2-chloro-6-methyl-5-nitro-pyrimidin-4-yl)-[3-(cyclopentoxy)-4-methoxy-benzyl]amine Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)Cl)NCC2=CC(=C(C=C2)OC)OC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)Cl)NCC2=CC(=C(C=C2)OC)OC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O4/c1-11-16(23(24)25)17(22-18(19)21-11)20-10-12-7-8-14(26-2)15(9-12)27-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,20,21,22)